SCHEMBL23707244

SCHEMBL23707244

Nc1cncc(N2CC[C@@H](O)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ AR P10275 1/20 0.40
▸ CHRNB2 P17787 10/20 0.40
▸ CHRNB4 P30926 10/20 0.40
▸ CHRNA3 P32297 10/20 0.40
▸ CHRNA4 P43681 10/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL17796709 1.00 CCR6 (0.42) CCR6CDK1CDK2ARCHRNB2
SCHEMBL17796820 0.91 SMPD3 (0.43) CCR6CDK1CDK2CHRNB2CHRNB4
SCHEMBL17796769 0.91 SMPD3 (0.43) CCR6CDK1CDK2CHRNB2CHRNB4
SCHEMBL24533959 0.82 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15205522 0.81 CHRNB2 (0.59) CCR6ARCHRNB2CHRNB4CHRNA3
SCHEMBL25852559 0.81 CHRNB2 (0.59) CCR6ARCHRNB2CHRNB4CHRNA3
SCHEMBL5404714 0.81 CHRNB4 (0.54) CCR6ARCHRNB2CHRNB4CHRNA3
SCHEMBL26951386 0.78 CHRNB2 (0.54) CCR6CDK1CDK2ARCHRNB2
SCHEMBL17843209 0.77 CHRNB2 (0.62) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25855696 0.77 CCR6 (0.55) CCR6ARCHRNB2CHRNB4CHRNA3

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 CCR6 3551/4885CDK1 360/4885CDK2 434/4885

“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.

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