SCHEMBL21855458

SCHEMBL21855458

CC(C)c1cnn2c(Cl)nc(-c3cnsc3)nc12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL21855473 0.84
SCHEMBL29619215 0.75 AHR (0.49) CDK2CDK5CDK5R1
SCHEMBL20541825 0.75 AHR (0.49) CDK2CDK5CDK5R1
SCHEMBL21855481 0.75 CDK2 (0.36) CDK2CDK5CDK5R1
SCHEMBL21855483 0.74 CDK2 (0.38) CDK2CDK5CDK5R1
SCHEMBL23713346 0.73 CDK2 (0.36) CDK2CDK5CDK5R1
SCHEMBL23381599 0.72 CDK2 (0.31) CDK2CDK5CDK5R1
SCHEMBL15224428 0.70 CDK2 (0.34) CDK2CDK5CDK5R1
SCHEMBL15238119 0.69 CDK2 (0.40) CDK2CDK5CDK5R1
SCHEMBL29174908 0.68 CDK2 (0.36) CDK2CDK5CDK5R1

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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK2 1444/4885CDK5 1931/4885CDK5R1 1393/4885

“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.