SCHEMBL23624032

SCHEMBL23624032

CCn1c(C(=O)OC)nc2cnccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 8/20 0.49
KDM4E B2RXH2 1/20 0.47
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
S1PR1 P21453 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL28645924 0.84 RPS6KA5 (0.49) RPS6KA5RPS6KB1CDK2ROCK1DYRK1A
SCHEMBL4904741 0.81 TP53 (0.56) POLB
SCHEMBL4903864 0.78 BRD4 (0.42) POLB
SCHEMBL23624207 0.76 RPS6KA5 (0.44) RPS6KA5KDM4ERPS6KB1CYP2D6
SCHEMBL13071643 0.74 RPS6KA5 (0.54) RPS6KA5KDM4ERPS6KB1CDK2ROCK1
SCHEMBL7494380 0.72
SCHEMBL4903916 0.71 TP53 (0.67) POLB
SCHEMBL7498414 0.70 KDM4E (0.53) KDM4E
SCHEMBL4717496 0.69 TP53 (0.47) RPS6KA5KDM4ERPS6KB1CDK2ROCK1
SCHEMBL17788679 0.69 ROCK2 (0.61) KDM4E

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-113348170-B Biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 CN disclosed
US-20230105212-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-04-06 US disclosed
EP-4086253-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-11-09 EP disclosed
WO-2021136354-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2021-07-08 WO disclosed
WO-2021136354-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2021-07-08 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-20230105212-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, TMBIM6, CYP46A1 RPS6KA5 3459/4885KDM4E 1845/4885RPS6KB1 2235/4885

“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.