SCHEMBL14050797

SCHEMBL14050797

CSc1cc(Cl)nc2c([N+](=O)[O-])cnn12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PKM P14618 3/20 0.34
KMT2A Q03164 3/20 0.33
PGK1 P00558 1/20 0.33
PIK3CA P42336 4/20 0.32
MEN1 O00255 2/20 0.32
CCR2 P41597 1/20 0.32
LMNA P02545 1/20 0.32
CCNT1 O60563 3/20 0.31
FLT3 P36888 3/20 0.31
CDK9 P50750 3/20 0.31
CDK7 P50613 2/20 0.31

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
SCHEMBL23327428 0.81 POLB (0.40) POLBL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL26253848 0.78 PKM (0.42) POLBL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL23327762 0.75 CDK2 (0.38) POLBL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL23530579 0.72 CDK2 (0.37) LMNACCNT1CDK9CDK7
SCHEMBL6855708 0.72 ALDH1A1 (0.50) POLBL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL7447843 0.69 ALDH1A1 (0.41) POLBL3MBTL1ALDH1A1PKMPGK1
SCHEMBL11603518 0.69 KDM4E (0.54) POLBL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL14050805 0.68 KDM4E (0.39) ALDH1A1LMNA
SCHEMBL23327454 0.66 MAPT (0.42) POLBALDH1A1PIK3CALMNACCNT1
SCHEMBL8192822 0.66 ALDH1A1 (0.38) POLBL3MBTL1ALDH1A1PKMPGK1

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
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 WO disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 POLB 608/4885L3MBTL1 3639/4885ALDH1A1 2518/4885

“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.