SCHEMBL2609293

SCHEMBL2609293

CC(C)Cc1cccc(C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
ESR1 P03372 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNA7 P36544 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL21323530 0.85 ADORA2A (0.32) NOS1NOS2ADORA2A
SCHEMBL3625374 0.84 GABRA1 (0.44) GABRA1GABRB2NOS1NOS2NOS3
SCHEMBL24453820 0.84 GABRA1 (0.39) GABRA1GABRB2NOS1NOS2NOS3
SCHEMBL15316714 0.82 GABRA1 (0.34) GABRA1GABRB2NOS1NOS2NOS3
SCHEMBL1581851 0.81 KCNH2 (0.36) NOS1NOS2ADORA2AKCNH2CHRNA7
SCHEMBL2614966 0.81 KDM4E (0.46) GABRA1GABRB2NOS1NOS2NOS3
SCHEMBL31481285 0.81 KCNH2 (0.36) NOS1NOS2ADORA2AKCNH2CHRNA7
SCHEMBL12120627 0.80 SYK (0.40) NOS1NOS2NOS3ADORA2AESR1
SCHEMBL4051420 0.79 CCR1 (0.40) NOS1NOS2ADORA2AKCNH2CHRNA7
SCHEMBL19363978 0.79 ADORA2A (0.34) NOS1NOS2ADORA2AKCNH2CHRNA7

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274082-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-03-15 US disclosed
US-20200407327-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2020-12-31 US disclosed
US-20200345804-A1 NOVEL AGENTS TARGETING INHIBITOR OF APOPTOSIS PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-05 US disclosed
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-20180086758-A1 SUBSTITUTED N-(lH-INDAZOL-4-YL)IMIDAZO[l,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-03-29 US disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 US disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-11 US disclosed
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-11 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO 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-11274082-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 GABRA1 4113/4885GABRB2 3376/4885NOS1 3045/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE GABRA1 11/4885GABRB2 7/4885NOS1 2871/4885
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH GABRA1 4648/4885GABRB2 4654/4885NOS1 1884/4885
US-20180086758-A1 SUBSTITUTED N-(lH-INDAZOL-4-YL)IMIDAZO[l,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS LTK, MUSK, FGFR1 GABRA1 2069/4885GABRB2 2669/4885NOS1 1915/4885
US-20200345804-A1 NOVEL AGENTS TARGETING INHIBITOR OF APOPTOSIS PROTEINS XIAP, BIRC2, BIRC5 GABRA1 4221/4885GABRB2 3662/4885NOS1 4313/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 GABRA1 3616/4885GABRB2 3443/4885NOS1 2078/4885
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors AFF1, FLI1, F3 GABRA1 2192/4885GABRB2 3377/4885NOS1 376/4885
US-20200407327-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 GABRA1 4113/4885GABRB2 3376/4885NOS1 3045/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GABRA1 1353/4885GABRB2 1149/4885NOS1 2128/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 GABRA1 2524/4885GABRB2 2322/4885NOS1 624/4885

“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.