SCHEMBL23707248

SCHEMBL23707248

COCC1CN(c2ccc(N)nc2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.43
PRKCQ Q04759 1/20 0.41
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
WEE1 P30291 1/20 0.37
TRPC6 Q9Y210 4/20 0.37
USP25 Q9UHP3 2/20 0.35
USP28 Q96RU2 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL13769026 0.84 SCN9A (0.44) ADRB1CHRNB2CHRNA4WEE1TRPC6
Hydrochloric Acid SCHEMBL28462986 0.83 SCN9A (0.43) ADRB1CHRNB2CHRNA4WEE1TRPC6
Hydrochloric Acid SCHEMBL28462985 0.83 SCN9A (0.43) ADRB1CHRNB2CHRNA4WEE1TRPC6
SCHEMBL22542075 0.80 ADRB1 (0.47) ADRB1PRKCQWEE1USP25USP28
SCHEMBL2819513 0.79 CHRNB2 (0.47) PRKCQCHRNB2CHRNA4
SCHEMBL22414247 0.79 CHRNB2 (0.47) PRKCQCHRNB2CHRNA4
SCHEMBL25949375 0.79 CHRNB2 (0.47) PRKCQCHRNB2CHRNA4
SCHEMBL21081153 0.79 PRKCQ (0.39) ADRB1PRKCQPIK3CAMTORTRPC6
SCHEMBL19231820 0.79 LTA4H (0.49) PRKCQ
SCHEMBL21081117 0.78 TRPC6 (0.47) ADRB1PRKCQPIK3CAMTORTRPC6

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-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 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-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 ADRB1 1082/4885PRKCQ 293/4885CHRNB2 1443/4885

“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.