SCHEMBL20939415

SCHEMBL20939415

COc1cc2c(ccn2CC(=O)N(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 19/20 0.43
▸ GRIN1 Q05586 5/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KRAS P01116 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL21936469 0.81 GRIN2B (0.55) GRIN2BGRIN1KCNH2
SCHEMBL20939542 0.75 MAP3K14 (0.42) GRIN2BGRIN1CYP2C9KCNH2CYP2C19
SCHEMBL24110368 0.75 HTR2C (0.37) —
SCHEMBL14884748 0.75 KMT2A (0.53) —
SCHEMBL24110500 0.74 HTR2C (0.36) —
SCHEMBL22946240 0.73 HDAC3 (0.41) GRIN2B
SCHEMBL3354522 0.72 GRIN2B (0.45) GRIN2BGRIN1CYP2C9
SCHEMBL14487798 0.72 ATM (0.52) CYP2C9KRASCYP2C19
SCHEMBL8568248 0.71 KMT2A (0.65) GRIN2BCYP2C19
SCHEMBL13537401 0.70 GRIN2B (0.43) GRIN2BGRIN1CYP2C9

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-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 — — 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-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB GRIN2B 2899/4885GRIN1 1665/4885CYP2C9 4297/4885

“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.

Send feedback