SCHEMBL4980463

SCHEMBL4980463

Cn1c(NCc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
KMT2A Q03164 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 3/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
PPARG P37231 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
EGFR P00533 1/20 0.44
IGF1R P08069 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL4975099 0.89 RAB9A (0.60) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4979982 0.88 POLB (0.52) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4981860 0.88 ALDH1A1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4983127 0.88 EGFR (0.48) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4982448 0.86 MAPT (0.57) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4984328 0.81 GFER (0.56) KMT2ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL14263316 0.79 NPC1 (0.67) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4981282 0.77 GAA (0.65) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL209281 0.77 ALDH1A1 (0.54) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4980845 0.77 HDAC6 (0.61) RAB9AKMT2AALDH1A1MAPTGAA

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 8 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-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
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
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
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR NPC1 4748/4885RAB9A 4360/4885KMT2A 366/4885

“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.