SCHEMBL4976545

SCHEMBL4976545

Cc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3n2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 4/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 6/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
JAK2 O60674 1/20 0.47
MITF O75030 1/20 0.47
PAX8 Q06710 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL4978405 0.89 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL4976756 0.88 HDAC6 (0.57) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL4978799 0.86 NPC1 (0.60) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL4981793 0.86 CSNK1D (0.56) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL8026313 0.85 ABCG2 (0.50) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL4975099 0.81 RAB9A (0.60) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL209281 0.81 ALDH1A1 (0.54) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL588563 0.78 RAB9A (0.62) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL4977099 0.77 ALDH1A1 (0.54) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL4981850 0.77 ALDH1A1 (0.51) NPC1RAB9AALDH1A1PKMMAPT

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 4360/4885ALDH1A1 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.