SCHEMBL19690876

SCHEMBL19690876

CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Nc3ccc(C#N)cc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.48
BPTF Q12830 1/20 0.43
ADORA2A P29274 5/20 0.42
ADORA1 P30542 4/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CCNH P51946 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
GBA1 P04062 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CTSL P07711 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
SCHEMBL19690913 0.87 HTT (0.48) AURKABPTFADORA2AADORA1TSHR
SCHEMBL19691028 0.85 ADORA2A (0.56) AURKABPTFADORA2AADORA1TSHR
SCHEMBL19691024 0.85 BPTF (0.43) AURKABPTFADORA2AADORA1TSHR
SCHEMBL19690912 0.84 BPTF (0.43) AURKABPTFADORA2AADORA1TSHR
SCHEMBL19690893 0.83 AURKA (0.47) AURKABPTFADORA2AADORA1TSHR
SCHEMBL19690986 0.82 GBA1 (0.44) BPTFADORA2AADORA1TSHRNPSR1
SCHEMBL19691074 0.80 AURKA (0.48) AURKACDK2CDK7CCNHCCNT1
SCHEMBL19690977 0.78 CTSC (0.50) BRD4CREBBP
SCHEMBL19690860 0.77 HTT (0.43) ADORA2AADORA1TSHRNPSR1GBA1
SCHEMBL19691065 0.77 HTT (0.43) ADORA2AADORA1GBA1ALK

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 AURKA 2369/4885BPTF 3505/4885ADORA2A 1792/4885

“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.