SCHEMBL4978337

SCHEMBL4978337

Cc1cccc2c1nc(NC(=O)Cc1cccs1)n2N(C)c1ccnc(Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
IKBKB O14920 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4977047 0.94 POLB (0.47) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL4976831 0.90 ALDH1A1 (0.45) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL4980634 0.88 POLB (0.43) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL4978583 0.84 TSHR (0.45) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL4977109 0.83 IKBKB (0.48) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL4978524 0.83 PDGFRB (0.44) ALDH1A1MAPTPOLBKDM4EHTT
SCHEMBL4975092 0.83 PDGFRB (0.41) L3MBTL1MAPTKMT2A
SCHEMBL4977164 0.83 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAKDM4E
SCHEMBL4978780 0.82 CDK1 (0.43) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL4978786 0.82 CDK2 (0.44) ALDH1A1POLBKMT2AMEN1PKM

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 5 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 claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP 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 L3MBTL1 2927/4885ALDH1A1 994/4885MAPT 2663/4885

“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.