SCHEMBL9910946

SCHEMBL9910946

COc1ccccc1-c1cncc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
CTSA P10619 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
CYP2A6 P11509 1/20 0.45

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
SCHEMBL7391983 0.81 PDGFRB (0.51) PDGFRBPDGFRACTSACYP11B1CYP11B2
SCHEMBL3363703 0.81 PDGFRB (0.51) PDGFRBPDGFRACTSACYP11B1CYP11B2
SCHEMBL1119500 0.81 PDGFRB (0.51) PDGFRBPDGFRACTSACYP11B1CYP11B2
SCHEMBL16398683 0.79 S1PR1 (0.45) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6754272 0.78 CYP1A2 (0.54) PDGFRBPDGFRAALDH1A1SMN1; SMN2HPGD
SCHEMBL12104804 0.78 CYP2A6 (0.55) CYP11B1CYP11B2SMN1; SMN2HPGDNPC1
SCHEMBL28047285 0.78 ERN1 (0.50) PDGFRBPDGFRACTSACYP11B1CYP11B2
SCHEMBL2554408 0.78 PDGFRB (0.48) PDGFRBPDGFRACTSACYP11B1CYP11B2
SCHEMBL5541170 0.77 TP53 (0.61) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL23013093 0.76 CTSA (0.56) PDGFRBPDGFRACTSACYP11B1CYP11B2

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
CN-101801931-B Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL SA 2014-05-14 CN disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 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 (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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP PDGFRB 838/4885PDGFRA 1266/4885CTSA 2163/4885
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK PDGFRB 3487/4885PDGFRA 3793/4885CTSA 3237/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK PDGFRB 26/4885PDGFRA 41/4885CTSA 4470/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PDGFRB 221/4885PDGFRA 100/4885CTSA 4736/4885

“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.