SCHEMBL18704239

SCHEMBL18704239

CCCOC(=O)C(C)(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 2/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
GRM1 Q13255 1/20 0.31
HSD17B10 Q99714 1/20 0.31
STS P08842 1/20 0.30

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
SCHEMBL18704240 0.88 ALDH1A1 (0.47) ALDH1A1TSHRHCAR2LMNAESR1
SCHEMBL7565591 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL28063852 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL28631996 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL130111 0.76 HCAR2 (0.39) ALDH1A1TSHRHCAR2LMNAESR1
SCHEMBL685430 0.76 HCAR2 (0.39) ALDH1A1TSHRHCAR2LMNAESR1
SCHEMBL6062638 0.75 HCAR2 (0.41) ALDH1A1TSHRHCAR2LMNAESR1
SCHEMBL204763 0.75 POLB (0.44) ALDH1A1TSHRHCAR2LMNAESR1
SCHEMBL19033723 0.75 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRHCAR2
SCHEMBL28817931 0.75 MEN1 (0.33) MEN1KMT2AALDH1A1TSHRHCAR2

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-10202352-B2 Process for preparation of aminopyrazole GHARDA CHEMICALS LIMITED (IN) 2019-02-12 US claimed
US-20180282284-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE GHARDA CHEMICALS LIMITED (IN) 2018-10-04 US claimed
WO-2017060787-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE GHARDA CHEMICALS LIMITED (IN) 2017-04-13 WO claimed
US-10202352-B2 Process for preparation of aminopyrazole GHARDA CHEMICALS LIMITED (IN) 2019-02-12 US disclosed
US-20180282284-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE GHARDA CHEMICALS LIMITED (IN) 2018-10-04 US disclosed
WO-2017060787-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE GHARDA CHEMICALS LIMITED (IN) 2017-04-13 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-10202352-B2 Process for preparation of aminopyrazole CYP3A4, CYP3A5, CYP4F3 MEN1 3649/4885KMT2A 2262/4885ALDH1A1 1320/4885
US-20180282284-A1 PROCESS FOR PREPARATION OF AMINOPYRAZOLE CYP3A4, CYP3A5, CYP4F3 MEN1 3649/4885KMT2A 2262/4885ALDH1A1 1320/4885

“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.