SCHEMBL10003365

SCHEMBL10003365

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RCE1 Q9Y256 1/20 0.43
FLT3 P36888 2/20 0.43
ULK1 O75385 1/20 0.43
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CTSL P07711 2/20 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
SCHEMBL10002951 0.86 IDO1 (0.59) IDO1MEN1KMT2ARCE1FLT3
SCHEMBL914773 0.80 SRD5A2 (0.59) IDO1MEN1KMT2ARCE1FLT3
SCHEMBL10002809 0.79 SRD5A2 (0.72) IDO1MEN1KMT2ARCE1FLT3
SCHEMBL914150 0.78 ULK1 (0.67) IDO1MEN1KMT2ARCE1FLT3
SCHEMBL17226827 0.78 IDO1 (0.54) IDO1MEN1KMT2AFLT3SRD5A2
SCHEMBL10003043 0.77 IDO1 (0.39) IDO1MEN1KMT2AFLT3SRD5A2
SCHEMBL10002816 0.76 KIF11 (0.39) IDO1FLT3SRD5A2KDM4EALDH1A1
SCHEMBL16188656 0.75 HPGD (0.45) MEN1KMT2ARCE1FLT3ULK1
SCHEMBL10002642 0.75 HPGD (0.45) MEN1KMT2ARCE1FLT3ULK1
SCHEMBL10002645 0.75 HPGD (0.45) MEN1KMT2ARCE1FLT3ULK1

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 8 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-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

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 IDO1 2837/4885MEN1 4119/4885KMT2A 2297/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 IDO1 1216/4885MEN1 2623/4885KMT2A 2547/4885

“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.