SCHEMBL19687060

SCHEMBL19687060

Cc1ccn(-c2cc(COc3ccc(C(N)=O)nn3)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.40
ROCK2 O75116 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
IDH1 O75874 2/20 0.31
NNMT P40261 1/20 0.31
SYK P43405 1/20 0.31
BRD4 O60885 1/20 0.31
ENPP2 Q13822 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
SCHEMBL31127355 0.89 GABRA1 (0.35) GABRA1HCRTR1HCRTR2IDH1BRD4
SCHEMBL19686410 0.89 GABRA1 (0.35) GABRA1HCRTR1HCRTR2IDH1BRD4
SCHEMBL21165971 0.87 GABRA1 (0.40) GABRA1ROCK2IDH1NNMT
SCHEMBL31127359 0.84 IDH1 (0.35) ROCK2IDH1SYKBRD4
SCHEMBL19687101 0.84 IDH1 (0.35) ROCK2IDH1SYKBRD4
SCHEMBL19687062 0.84 IDH1 (0.36) GABRA1IDH1ENPP2
SCHEMBL19687146 0.83 IDH1 (0.33) GABRA1IDH1
SCHEMBL19687058 0.82 HCRTR1 (0.40) HCRTR1HCRTR2IDH1BRD4
SCHEMBL19686407 0.81 IDH1 (0.38) IDH1
SCHEMBL19686777 0.80 IDH1 (0.34) IDH1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 GABRA1 325/4885ROCK2 3705/4885HCRTR1 2875/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GABRA1 325/4885ROCK2 3705/4885HCRTR1 2875/4885

“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.