SCHEMBL4978583

SCHEMBL4978583

Cc1cccc2c1nc(NC(=O)c1ccco1)n2N(C)c1ccnc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4980507 0.93 MEN1 (0.46) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL4976831 0.88 ALDH1A1 (0.45) TSHRALDH1A1POLBPKMKMT2A
SCHEMBL4977164 0.88 ALDH1A1 (0.51) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL4978337 0.84 L3MBTL1 (0.48) ALDH1A1POLBPKMKMT2AMEN1
SCHEMBL4978780 0.84 CDK1 (0.43) ALDH1A1POLBPKMKMT2AMEN1
SCHEMBL4980634 0.84 POLB (0.43) ALDH1A1POLBPKMKMT2AMEN1
SCHEMBL4978786 0.84 CDK2 (0.44) ALDH1A1POLBPKMKMT2AMEN1
SCHEMBL4978524 0.81 PDGFRB (0.44) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL4977047 0.78 POLB (0.47) ALDH1A1POLBPKMKMT2AMEN1
SCHEMBL4975092 0.78 PDGFRB (0.41) KMT2AMAPTL3MBTL1CCNT1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 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 (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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR TSHR 3869/4885PAX8 1503/4885ALDH1A1 994/4885

“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.