SCHEMBL15980689

SCHEMBL15980689

Cc1cc(-c2cnn(C)c2)cc(C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.45
KDM4C Q9H3R0 1/20 0.44
KDM5C P41229 1/20 0.44
ERN1 O75460 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PFKFB3 Q16875 3/20 0.37
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
MAP4K1 Q92918 1/20 0.37
MAPT P10636 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL15984746 0.84 ERN1 (0.44) KDM5AERN1PIK3CDPIK3CAPIK3CB
SCHEMBL16153730 0.84 KDM5B (0.42) KDM5AKDM4CKDM5CERN1PIK3CD
SCHEMBL19531824 0.83 KDM5A (0.44) KDM5AKDM4CKDM5CPIK3CDPIK3CA
SCHEMBL19531880 0.83 NOS3 (0.46) KDM5AERN1PIK3CDPIK3CAPIK3CB
SCHEMBL19531969 0.80 KDM5A (0.46) KDM5APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL19531818 0.80 KDM5A (0.46) KDM5AKDM4CKDM5CPIK3CDPIK3CA
SCHEMBL19531803 0.80 KDM5A (0.47) KDM5AERN1PIK3CDPIK3CAPIK3CB
SCHEMBL19531881 0.80 KDM5A (0.49) KDM5APIK3CAIRAK4KDM5B
SCHEMBL19539274 0.79 KDM5A (0.48) KDM5AERN1PIK3CDPIK3CAPIK3CB
SCHEMBL16155872 0.78 MAPT (0.48) KDM5AERN1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM4C 16/4885KDM5C 2/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B KDM5A 1/4885KDM4C 16/4885KDM5C 2/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK KDM5A 476/4885KDM4C 710/4885KDM5C 523/4885

“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.