SCHEMBL1722987

SCHEMBL1722987

COc1ccc(F)c(-c2cccc(C(=O)O)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.58
STIM1 Q13586 2/20 0.47
ORAI1 Q96D31 2/20 0.47
GRK6 P43250 1/20 0.46
SCN9A Q15858 1/20 0.45
DHODH Q02127 1/20 0.45
MCL1 Q07820 2/20 0.44
GRM2 Q14416 1/20 0.44
PTGER1 P34995 2/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ECE1 P42892 1/20 0.42

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
SCHEMBL1711444 0.84 PIM1 (0.51) CTSASCN9ADHODHMCL1PTGER1
SCHEMBL28554483 0.81 CTSA (0.53) CTSASCN9APTGER1KDM4EALOX15
SCHEMBL1711786 0.81 GRK6 (0.47) CTSASTIM1ORAI1GRK6DHODH
SCHEMBL1711547 0.81 KDM4E (0.44) CTSAGRK6SCN9AMCL1GRM2
SCHEMBL1711956 0.81 CTSA (0.50) CTSASTIM1ORAI1GRK6DHODH
SCHEMBL13758107 0.79 KDM4E (0.53) CTSASCN9APTGER1KDM4EALOX15
SCHEMBL16517079 0.79 KDM4E (0.46) CTSAMCL1PTGER1KDM4EALOX15
SCHEMBL14151460 0.77 ALDH1A1 (0.59) CTSAMCL1NPC1RAB9AALDH1A1
SCHEMBL4630405 0.77 MCL1 (0.60) CTSAMCL1KDM4EALOX15TSHR
SCHEMBL30614602 0.77 MCL1 (0.60) CTSAMCL1KDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
EP-2344474-B1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
EP-2344474-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 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 (4 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-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CTSA 4311/4885STIM1 1173/4885ORAI1 4010/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CTSA 4311/4885STIM1 1173/4885ORAI1 4010/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 CTSA 4311/4885STIM1 1173/4885ORAI1 4010/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CTSA 4311/4885STIM1 1173/4885ORAI1 4010/4885

“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.