SCHEMBL22650902

SCHEMBL22650902

CC(C)n1cnc2c1CNCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.34
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
HTR7 P34969 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL11517457 0.77 HTR2C (0.34) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL1995042 0.75 HTR2C (0.33) HTR2C
SCHEMBL15723732 0.74 PDE3B (0.33) MEN1ALDH1A1KMT2A
SCHEMBL24656035 0.73 POLB (0.33)
SCHEMBL20609433 0.72 HTR2C (0.33) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL24817958 0.69 CDK4 (0.35)
SCHEMBL28948342 0.69 PI4KA (0.35) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL16019016 0.68 PKN1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL18522458 0.68 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL3516499 0.67 HTR2C (0.39) HTR2CHTR2AHTR2B

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 4 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
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 SIGMAR1 4520/4885HTR2C 3685/4885HTR2A 4227/4885

“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.