SCHEMBL4978799

SCHEMBL4978799

COc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3n2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 4/20 0.60
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MCL1 Q07820 1/20 0.50
LMNA P02545 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
KDR P35968 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47

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
SCHEMBL4976545 0.86 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4978405 0.85 SMN1; SMN2 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4976756 0.85 HDAC6 (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4981793 0.83 CSNK1D (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4982448 0.83 MAPT (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8026313 0.82 ABCG2 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL209281 0.78 ALDH1A1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19129498 0.78 GUCY1B2 (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4977099 0.75 ALDH1A1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4981850 0.75 ALDH1A1 (0.51) NPC1RAB9AMAPTMEN1KMT2A

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 7 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
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 4360/4885MAPT 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.