SCHEMBL24966401

SCHEMBL24966401

CNc1nc(-c2cncc(F)c2)nc2c1ncn2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 19/20 0.42
▸ CDK5R1 Q15078 19/20 0.42
▸ CCNB2 O95067 6/20 0.42
▸ CDK1 P06493 6/20 0.42
▸ CCNB1 P14635 6/20 0.42
▸ CCNB3 Q8WWL7 6/20 0.42
▸ DYRK1A Q13627 11/20 0.42
▸ CCNA2 P20248 11/20 0.42
▸ CDK2 P24941 11/20 0.42
▸ CCNA1 P78396 11/20 0.42
▸ NPC1 O15118 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL21016614 0.88 PDE4A (0.38) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL20542038 0.83 CDK5 (0.41) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL30579323 0.83 CDK2 (0.53) CDK5CDK5R1CDK1CCNB1DYRK1A
SCHEMBL30579367 0.83 CDK5 (0.41) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2315103 0.80 AHR (0.58) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL24966413 0.79 CDK2 (0.38) CDK5CDK5R1CDK1CCNB1DYRK1A
SCHEMBL2315980 0.79 CDK2 (0.50) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2313622 0.79 AHR (0.44) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2313618 0.79 CDK1 (0.47) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL2315311 0.78 AHR (0.51) CDK5CDK5R1CCNB2CDK1CCNB1

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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 — — 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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK5 1931/4885CDK5R1 1393/4885CCNB2 3779/4885

“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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