SCHEMBL16188656

SCHEMBL16188656

CC(C)Oc1cccc2[nH]c(C(=O)C(C#N)=CN(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RCE1 Q9Y256 1/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
FLT3 P36888 2/20 0.38
ULK1 O75385 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10002642 1.00 HPGD (0.45) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL10002645 1.00 HPGD (0.45) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL10003230 0.88 FLT3 (0.51) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL10003231 0.88 FLT3 (0.51) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL11931234 0.88 FLT3 (0.51) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL10005117 0.82 SRD5A2 (0.61) HPGDMAPTNPSR1ALDH1A1MEN1
SCHEMBL10005119 0.82 SRD5A2 (0.61) HPGDMAPTNPSR1ALDH1A1MEN1
SCHEMBL10003343 0.79 HPGD (0.47) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL10003347 0.79 HPGD (0.47) HPGDMAPTNPSR1RECQLALDH1A1
SCHEMBL10003193 0.78 HPGD (0.46) HPGDMAPTNPSR1RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 HPGD 345/4885MAPT 4330/4885NPSR1 2432/4885

“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.