SCHEMBL4979115

SCHEMBL4979115

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 3/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 2/20 0.49
CNR2 P34972 1/20 0.48
OPRM1 P35372 1/20 0.47
THRB P10828 2/20 0.46
CFTR P13569 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10273451 0.83 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL4979124 0.78 IRAK4 (0.53) KMT2AMEN1CYP1A2ALDH1A1PKM
SCHEMBL15166271 0.76 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL2016798 0.76 KDM4E (0.44) KMT2AMEN1CYP1A2ALDH1A1PKM
SCHEMBL17199219 0.74 MAPT (0.53) KMT2AMEN1CYP1A2ALDH1A1LMNA
SCHEMBL10466021 0.74 CYP1A2 (0.48) KMT2AMEN1CYP1A2ALDH1A1PKM
SCHEMBL10466034 0.74 PKM (0.50) KMT2AMEN1CYP1A2ALDH1A1PKM
SCHEMBL3070815 0.73 CYP19A1 (0.55) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL31349412 0.73 LMNA (0.51) KMT2AMEN1CYP1A2ALDH1A1PKM
SCHEMBL4980895 0.73 MEN1 (0.53) KMT2AMEN1CYP1A2PKMLMNA

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 2 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-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 KMT2A 366/4885MEN1 1400/4885CYP1A2 2715/4885

“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.