SCHEMBL29959299

SCHEMBL29959299

Cc1c[nH]c2nccc(Cl)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.57
CDK2 P24941 3/20 0.50
CDK9 P50750 2/20 0.50
CDK5 Q00535 2/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CCNA1 P78396 1/20 0.50
CDK5R1 Q15078 1/20 0.50
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 4/20 0.47
CDC42BPA Q5VT25 4/20 0.47
AXL P30530 3/20 0.47
AURKB Q96GD4 3/20 0.47
PRKCI P41743 2/20 0.47
CDC7 O00311 2/20 0.47
CHEK1 O14757 2/20 0.47
PDPK1 O15530 2/20 0.47
DAPK3 O43293 2/20 0.47
DYRK3 O43781 2/20 0.47
CDK1 P06493 2/20 0.47

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
SCHEMBL2692680 1.00 LRRK2 (0.57) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL21620550 0.85 LRRK2 (0.49) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL855137 0.82 HTR2A (0.48) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL16785960 0.82 LRRK2 (0.62) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL23883560 0.78 LRRK2 (0.59) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL19932612 0.77 CCNK (0.44) LRRK2ROCK2ROCK1CDC42BPAAXL
SCHEMBL1045493 0.77 LRRK2 (0.57) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL2237935 0.77 LRRK2 (0.57) LRRK2CDK2CDK9CDK5CCNT1
SCHEMBL23169939 0.77 TRPA1 (0.46) LRRK2CDK2ROCK2ROCK1CDC42BPA
SCHEMBL19478522 0.77 CCNK (0.44) LRRK2CDK2CDK9CDK5CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341124-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-09-20 CN disclosed
CN-118530260-A Fused bicyclic derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-23 CN disclosed
CN-118530261-A Fused bicyclic derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-23 CN disclosed
CN-115397815-B Fused bicyclic derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-06-14 CN disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122922-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-01-25 EP disclosed
CN-115397815-A Condensed bicyclic derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-25 CN disclosed
WO-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 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-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF WEE2, AKT1S1, WEE1 LRRK2 458/4885CDK2 76/4885CDK9 696/4885

“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.