SCHEMBL21754255

SCHEMBL21754255

C=N/C=C(F)\C=C(/C)c1nc(NCCc2c[nH]c3c(F)cc(F)cc23)c2ncn(C(C)C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 12/20 0.40
▸ CDK5R1 Q15078 12/20 0.40
▸ CDK2 P24941 7/20 0.39
▸ CCNE1 P24864 4/20 0.39
▸ CCNE2 O96020 2/20 0.39
▸ CCNK O75909 3/20 0.35
▸ CDK12 Q9NYV4 3/20 0.35
▸ CDK9 P50750 5/20 0.35
▸ CCNT1 O60563 3/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCNA1 P78396 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
SCHEMBL23569885 0.90 CDK2 (0.43) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL23570137 0.87 CDK2 (0.45) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL22131190 0.87 CDK5 (0.40) CDK5CDK5R1CDK2CCNE1CCNK
SCHEMBL23570212 0.86 CDK2 (0.43) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL23570179 0.84 CDK2 (0.45) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL23569988 0.84 CDK2 (0.45) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL22566856 0.83 CDK2 (0.45) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL23570213 0.83 CDK2 (0.43) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL23570181 0.80 CDK2 (0.43) CDK5CDK5R1CDK2CCNE1CCNE2
SCHEMBL19278523 0.79 CDK2 (0.48) CDK2CCNE1CCNE2CCNKCDK12

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 2 patents. 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
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 — — 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 (2 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK5 1931/4885CDK5R1 1393/4885CDK2 1444/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK5 1931/4885CDK5R1 1393/4885CDK2 1444/4885

“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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