SCHEMBL3654129

SCHEMBL3654129

Cc1cccc(-c2nc(-c3cncc(-c4ccc(CN5CCN(C)CC5)cc4)c3)cc(C(C)(C)C)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
CHKA P35790 3/20 0.40
TNIK Q9UKE5 6/20 0.40
ABL1 P00519 5/20 0.38
KIT P10721 4/20 0.38
ABL2 P42684 4/20 0.38
PDGFRB P09619 1/20 0.37
BCR P11274 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL3752954 0.87 ALDH1A1 (0.46) TGFBR1ACVR1CHKATNIKABL1
SCHEMBL2239545 0.85 TGFBR1 (0.41) TGFBR1ACVR1CHKATNIKABL1
SCHEMBL27827758 0.84 TGFBR1 (0.41) TGFBR1ACVR1CHKATNIKABL1
SCHEMBL4158945 0.78 MAP3K11 (0.47) TGFBR1TNIKABL1SRCSYK
SCHEMBL2238789 0.77 CYP2D6 (0.41) TGFBR1
SCHEMBL2240380 0.77 GSK3B (0.40) ABL1KITABL2PDGFRBBCR
SCHEMBL3720028 0.75 GSK3B (0.42) TGFBR1ACVR1CHKATNIKABL1
SCHEMBL2305188 0.72 TNIK (0.44) CHKATNIKABL1KITABL2
SCHEMBL3727999 0.71 PIK3CD (0.40) ACVR1
SCHEMBL13046876 0.71 HDAC1 (0.42) TNIK

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 15 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
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
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 TGFBR1 478/4885ACVR1 202/4885CHKA 3332/4885

“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.