SCHEMBL8959852

SCHEMBL8959852

CCOC(=O)c1cc2c(C(F)(F)F)c(F)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 7/20 0.51
RAB9A P51151 6/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX15 P16050 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MMP13 P45452 5/20 0.47
MMP2 P08253 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL22717972 0.85 FLT3 (0.43) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5622542 0.84 KDM4E (0.56) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL4404148 0.84 KDM4E (0.56) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22620608 0.82 KDM4E (0.53) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22620607 0.82 KDM4E (0.53) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30193757 0.82 ALOX15 (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL1883225 0.82 ALOX15 (0.58) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL9232770 0.81 MEN1 (0.39) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL25748437 0.81 KDM4E (0.55) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22620609 0.80 KDM4E (0.51) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2

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
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 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 (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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 KDM4E 1500/4885ALDH1A1 919/4885RAB9A 2194/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 KDM4E 2063/4885ALDH1A1 873/4885RAB9A 2456/4885

“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.