SCHEMBL2415977

SCHEMBL2415977

Cc1cccc(C(=O)Nc2n[nH]c3sc(C(=O)NCCN4CCOCC4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 4/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 2/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PARP1 P09874 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL2417659 0.91 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL2416065 0.91 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10EPHX2
SCHEMBL2421223 0.86 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10EPHX2
SCHEMBL2411433 0.86 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL2416784 0.85 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL2420481 0.85 CD274 (0.56) KDM4EALDH1A1HPGDHSD17B10EPHX2
SCHEMBL2416429 0.85 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL2416385 0.84 MAPT (0.47) KDM4EALDH1A1HPGDCYP2C19MAPT
SCHEMBL2417501 0.82 HTT (0.54) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL2412603 0.82 BCL3 (0.61) KDM4EALDH1A1HPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 KDM4E 1232/4885ALDH1A1 2743/4885HPGD 2331/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KDM4E 1232/4885ALDH1A1 2743/4885HPGD 2331/4885

“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.