SCHEMBL22185263

SCHEMBL22185263

CC(C)c1cn(-c2ccc(C#N)c(F)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38

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
SCHEMBL22199045 0.83 USP30 (0.47) TRPV4CYP11B1CYP11B2
SCHEMBL22186133 0.78 RXRA (0.37) PIK3CA
SCHEMBL22185882 0.78 MAOA (0.37)
SCHEMBL14701743 0.76 IDH1 (0.40)
SCHEMBL22185883 0.75 PDE2A (0.39)
SCHEMBL25590434 0.74 GRM5 (0.59)
SCHEMBL22184961 0.74
SCHEMBL16047292 0.72 IDH1 (0.42) CYP11B2
Hydrochloric Acid SCHEMBL16054779 0.71 IDH1 (0.41) CYP11B2
SCHEMBL24908614 0.71 CYP11B1 (0.42) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A PIK3CD 677/4885ABL1 58/4885EGFR 1086/4885

“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.