SCHEMBL3662773

SCHEMBL3662773

Cc1cccc(-c2nc(O)cc(-c3cncc(-c4ccc(C(=O)N5CCN(C(C)C)CC5)cc4)c3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
ABL1 P00519 4/20 0.39
BCR P11274 4/20 0.39
GRM5 P41594 1/20 0.39
SLC6A7 Q99884 1/20 0.39
CHRNA7 P36544 1/20 0.39
MET P08581 1/20 0.39
CYP1A2 P05177 1/20 0.38
TACR3 P29371 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3660847 0.90 HRH3 (0.44) HRH3CCNCCDK8ABL1BCR
SCHEMBL3723325 0.90 HRH3 (0.44) HRH3CCNCCDK8ABL1BCR
SCHEMBL3656411 0.89 ABL1 (0.44) HRH3CCNCCDK8ABL1BCR
SCHEMBL3659562 0.84 HRH3 (0.45) HRH3ABL1BCRGRM5SLC6A7
SCHEMBL2241835 0.78 POLB (0.45) CCNCCDK8ABL1BCRGRM5
SCHEMBL2237541 0.78 HPGD (0.45) CCNCCDK8ABL1BCRGRM5
SCHEMBL3659805 0.78 ABL1 (0.46) HRH3ABL1BCRSLC6A7CHRNA7
SCHEMBL15338652 0.77 MGLL (0.40) HRH3CCNCCDK8ABL1BCR
SCHEMBL13743227 0.77 HRH3 (0.53) HRH3CCNCCDK8SLC6A7CHRNA7
SCHEMBL3663032 0.76 ABL1 (0.48) HRH3ABL1BCRSLC6A7

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP claimed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US claimed
CN-101910153-A Pyrimidines as kinase inhibitors NOVARTIS AG 2010-12-08 CN claimed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US claimed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP claimed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 WO claimed
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
CN-101910153-A Pyrimidines as kinase inhibitors NOVARTIS AG 2010-12-08 CN disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 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 (1 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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B HRH3 1989/4885CCNC 984/4885CDK8 2339/4885

“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.