SCHEMBL22650359

SCHEMBL22650359

CC(C)c1cnn2c(Br)cc(-c3ccnc(Cl)n3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP4B1 P13584 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP3A5 P20815 1/20 0.30
CYP2A7 P20853 1/20 0.30
CYP3A7 P24462 1/20 0.30
CYP2F1 P24903 1/20 0.30
CYP2C18 P33260 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL22650365 0.78 DYRK1A (0.36) AAK1IRAK4
SCHEMBL30039116 0.68 IRAK4 (0.41) AAK1IRAK4
SCHEMBL19836551 0.68 IRAK4 (0.41) AAK1IRAK4
SCHEMBL22272321 0.68 PDE1A (0.35) AAK1IRAK4
SCHEMBL18179501 0.67 KMO (0.42) PIK3CAPIK3CBPIK3CGAAK1
SCHEMBL22650387 0.67 SMN1; SMN2 (0.31)
SCHEMBL30039860 0.67 EGFR (0.44) IRAK4
SCHEMBL19836581 0.67 EGFR (0.44) IRAK4
SCHEMBL21016920 0.65 ERCC1 (0.49) IRAK4
SCHEMBL29520282 0.65 ERCC1 (0.49) IRAK4

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 4857/4885PIK3CA 288/4885PIK3CB 449/4885

“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.