SCHEMBL4979124

SCHEMBL4979124

CCn1c(NC)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.53
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 1/20 0.47
CNR2 P34972 1/20 0.46
CFTR P13569 1/20 0.46
OPRM1 P35372 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
THRB P10828 2/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL209281 0.83 ALDH1A1 (0.54) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4980895 0.83 MEN1 (0.53) IRAK4CYP1A2KMT2AMEN1MAPT
SCHEMBL6407925 0.82 IRAK4 (0.51) IRAK4KMT2AMAPTCNR2OPRM1
SCHEMBL4979115 0.78 KMT2A (0.57) CYP1A2KMT2AMEN1MAPTLMNA
SCHEMBL6258346 0.76 ALDH1A1 (0.52) IRAK4KMT2AMEN1MAPTLMNA
SCHEMBL10466034 0.76 PKM (0.50) IRAK4CYP1A2KMT2AMEN1MAPT
SCHEMBL4976587 0.76 KDM4E (0.63) CYP1A2KMT2AMEN1MAPTLMNA
SCHEMBL17199219 0.74 MAPT (0.53) CYP1A2KMT2AMEN1MAPTLMNA
SCHEMBL10466021 0.74 CYP1A2 (0.48) CYP1A2KMT2AMEN1MAPTLMNA
SCHEMBL31349412 0.73 LMNA (0.51) CYP1A2KMT2AMEN1MAPTLMNA

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 IRAK4 1066/4885CYP1A2 2715/4885KMT2A 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.