SCHEMBL4879733

SCHEMBL4879733

CNc1ncc([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.46
GALR2 O43603 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.41
PKM P14618 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
PTK2B Q14289 1/20 0.39
STK17A Q9UEE5 1/20 0.37
PRKCQ Q04759 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5524807 0.82 PGK1 (0.48) PIN1LMNASMN1; SMN2GSK3BCYP1A2
SCHEMBL1521779 0.81 GSK3B (0.53) PIN1GALR2LMNAPOLBSMN1; SMN2
SCHEMBL2950586 0.79 LMNA (0.42) PIN1GALR2LMNAPOLBSMN1; SMN2
SCHEMBL12276575 0.77 PIN1 (0.53) PIN1
SCHEMBL5975211 0.76 L3MBTL1 (0.52) PIN1MAPTKMT2ASTK17APRKCQ
SCHEMBL29389721 0.76 PIN1 (0.53) PIN1
SCHEMBL57678 0.76 PIN1 (0.53) PIN1
SCHEMBL14205411 0.76 PIN1 (0.51) PIN1GSK3BMAPT
SCHEMBL5519304 0.75 CDK2 (0.50) PIN1LMNAPOLBGSK3BMEN1
SCHEMBL2277899 0.74 PRKCQ (0.53) PIN1LMNASMN1; SMN2GSK3BCYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 US disclosed
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 EP disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 WO disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
CN-1373763-A Pteridinones and kinase inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 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 (3 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 PIN1 781/4885GALR2 3276/4885LMNA 1968/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 PIN1 1604/4885GALR2 2836/4885LMNA 3317/4885
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide LCK, FRK, FYN PIN1 1709/4885GALR2 3088/4885LMNA 4767/4885

“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.