SCHEMBL6016433

SCHEMBL6016433

COC(=O)Cc1n[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CDK2 P24941 1/20 0.45
MAP2K7 O14733 1/20 0.44
CYP1A2 P05177 1/20 0.43
GSK3B P49841 1/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
POLB P06746 1/20 0.40
DAO P14920 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
SCHEMBL6016556 0.90 CDK2 (0.53) SMN1; SMN2L3MBTL1CDK2MAPTHPGD
SCHEMBL1489156 0.83 MAPT (0.47) CDK2MAP2K7CYP1A2GSK3BMAPT
SCHEMBL14564361 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAP2K7CYP1A2GSK3BMAPT
SCHEMBL21768226 0.80 KDM4E (0.52) MAP2K7CYP1A2GSK3BMAPTHPGD
SCHEMBL13122708 0.80 MAPT (0.50) SMN1; SMN2L3MBTL1MAP2K7CYP1A2GSK3B
SCHEMBL22267604 0.79 GSK3B (0.55) SMN1; SMN2GSK3BMAPTKMT2APOLB
SCHEMBL6016609 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2GSK3BMAPTHPGD
SCHEMBL6016148 0.79 MAPT (0.47) SMN1; SMN2CYP1A2GSK3BMAPTLMNA
SCHEMBL11412098 0.78 CNR2 (0.48) CDK2MAPTHPGDLMNACNR2
SCHEMBL1592830 0.78 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CDK2MAPTCNR2

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-8853397-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmacuticals, Inc. (US) 2014-10-07 US disclosed
US-20130150349-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1534286-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2005-06-01 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2004014382-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS (US) 2004-02-19 WO disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 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-20130150349-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SMN1; SMN2 4764/4885L3MBTL1 4395/4885CDK2 339/4885

“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.