SCHEMBL1385040

SCHEMBL1385040

CCn1ncc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ATM Q13315 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 3/20 0.41
MAPK14 Q16539 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
TNNI3 P19429 1/20 0.39
CRHBP P24387 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39

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
SCHEMBL2929824 0.88 MAPK14 (0.46) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL1383829 0.83 MAP4K4 (0.46) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL1385559 0.83 ADORA2A (0.43) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4778930 0.81 KDM4E (0.43) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL1385383 0.79 MAPK14 (0.40) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4772265 0.79 GRM5 (0.53) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL4772590 0.79 KDM4E (0.41) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL29652680 0.78 MAPK14 (0.46) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL27682170 0.77 TBXAS1 (0.43) KDM4EMAPK1CASP1CASP7ATM
SCHEMBL27682168 0.76 TBXAS1 (0.42) KDM4EMAPK1CASP1CASP7ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US claimed
JP-4814783-B2 2011-11-16 JP claimed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP claimed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US claimed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US claimed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US claimed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 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 (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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 KDM4E 3384/4885MAPK1 1/4885CASP1 460/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 KDM4E 3953/4885MAPK1 1/4885CASP1 1343/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 KDM4E 3953/4885MAPK1 1/4885CASP1 1343/4885

“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.