SCHEMBL22650742

SCHEMBL22650742

CC(C)n1cnc2c1CN(c1ccnc(Cl)n1)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.40
OGA O60502 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39
HRH4 Q9H3N8 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SORD Q00796 3/20 0.34
P2RX3 P56373 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL22650749 0.77 CDK4 (0.54) CDK4CCND1CDK6
SCHEMBL24817958 0.70 CDK4 (0.35) CDK4CCND1CDK6HRH3
SCHEMBL7494030 0.68 TRPV1 (0.50) TRPV1OGAHRH4HRH3SORD
SCHEMBL29519276 0.66 TRPV1 (0.51) TRPV1OGAHRH4HRH3SORD
SCHEMBL3949154 0.66 TRPV1 (0.51) TRPV1OGAHRH4HRH3SORD
SCHEMBL1427479 0.66 TRPV1 (0.51) TRPV1OGAHRH4HRH3SORD
SCHEMBL30114728 0.66 ROCK2 (0.41) TRPV1OGAHRH4HRH3SORD
SCHEMBL29069673 0.66 ROCK2 (0.41) TRPV1OGAHRH4HRH3SORD
SCHEMBL23112111 0.66 TRPV1 (0.43) TRPV1OGAGRIN2DGRIN3BGRIN1
SCHEMBL2190955 0.66 HRH4 (0.65) TRPV1HRH4HRH3SORD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 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-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 TRPV1 4857/4885OGA 3375/4885CDK4 10/4885

“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.