SCHEMBL10066071

SCHEMBL10066071

Cc1cccc(-c2nc(N)ccc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
DPP4 P27487 1/20 0.50
ADORA1 P30542 2/20 0.45
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
NOS1 P29475 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK14 Q16539 2/20 0.43
XDH P47989 1/20 0.43
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
NCK1 P16333 1/20 0.42
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13623157 0.83 ADORA2A (0.51) DPP4ADORA1NOS3NOS2NOS1
SCHEMBL4406999 0.81 RAB9A (0.50) RAB9ADPP4ADORA1ALDH1A1MEN1
SCHEMBL13299572 0.81 RAB9A (0.50) RAB9ADPP4ADORA1MAPK14HEXA
SCHEMBL26806827 0.81 NOS3 (0.50) RAB9ADPP4ADORA1NOS3NOS2
SCHEMBL12264970 0.80 RAB9A (0.49) RAB9ADPP4ALDH1A1MAPK14XDH
SCHEMBL28663052 0.79 ADORA2A (0.54) ADORA1ALDH1A1MEN1KMT2AXDH
SCHEMBL28231629 0.79 TP53 (0.43) RAB9ADPP4ADORA1NOS3NOS2
SCHEMBL2393092 0.78 LDHA (0.49) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL4546890 0.76 RAB9A (0.55) RAB9ADPP4ADORA1ALDH1A1MEN1
SCHEMBL4581864 0.75 RAB9A (0.51) RAB9ADPP4ADORA1NOS3NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-09 US disclosed
US-20180127398-A1 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL) BENZOIC ACID VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-10 US disclosed
US-9776968-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-03 US disclosed
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-08 US disclosed
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-14 US disclosed
US-9321725-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-26 US disclosed
US-9012652-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-21 US disclosed
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2014-11-06 US disclosed
US-8816093-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
US-20130274477-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-17 US disclosed
US-8461342-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 US disclosed
US-8124781-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-28 US disclosed
WO-2011133956-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-27 WO disclosed
WO-2011127290-A2 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-13 WO disclosed
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-11 US disclosed
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180127398-A1 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL) BENZOIC ACID FIBP, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, BMX RAB9A 3688/4885DPP4 55/4885ADORA1 1371/4885
US-20130274477-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20120203006-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20140330023-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20160200712-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20090176989-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20100036130-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885
US-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, TMEM109 RAB9A 1577/4885DPP4 2180/4885ADORA1 400/4885
US-20120190856-A1 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO RAB9A 3312/4885DPP4 948/4885ADORA1 2839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.