SCHEMBL4980488

SCHEMBL4980488

CN(c1ccc2c(c1)nc(NCc1ccccc1)n2C)c1ccnc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 1/20 0.43
TRPC5 Q9UL62 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDR P35968 2/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 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
SCHEMBL14263335 0.92 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14263302 0.92 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14263304 0.91 KDR (0.44) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL4980958 0.90 MAPK1 (0.53) SMN1; SMN2MAPK1NPSR1TRPC5TDP1
SCHEMBL14263311 0.90 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14263329 0.90 HDAC6 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14263298 0.90 KDR (0.43) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14263312 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL14263328 0.87 TP53 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL4980267 0.83 KDR (0.43) CYP3A4CYP2D6CYP2C19KDRCYP2C9

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 6 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

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 4360/4885SMN1; SMN2 3839/4885

“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.