SCHEMBL29502620

SCHEMBL29502620

Nc1cnc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.55
AXL P30530 3/20 0.55
PIK3CA P42336 2/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
RIPK1 Q13546 4/20 0.51
ULK1 O75385 1/20 0.49
NUDT1 P36639 2/20 0.47
CCNT1 O60563 1/20 0.46
CCND1 P24385 1/20 0.46
CCNC P24863 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK6 Q00534 1/20 0.46
FGFR1 P11362 2/20 0.45
KDR P35968 2/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL926536 1.00 CDK8 (0.55) CDK8AXLPIK3CAPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL28300266 0.98 CDK8 (0.53) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL4294342 0.81 PIK3CA (0.64) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL12127266 0.80 RIPK1 (0.71) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL4831501 0.78 CDK8 (0.81) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL23655689 0.77 CDK8 (0.56) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL28863242 0.76 CDK8 (0.52) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL857125 0.76 CDK8 (0.69) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL1328372 0.76 RIPK1 (0.49) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL12148007 0.75 CDK8 (0.55) CDK8AXLPIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697485-B Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2025-03-14 CN disclosed
CN-118976029-A Pharmaceutical composition for preventing or treating parkinson's disease or nonalcoholic steatohepatitis 韩国化学研究院 2024-11-19 CN disclosed
US-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-15 US disclosed
CN-114829344-B Pyrimidine derivatives and pharmaceutical compositions containing the same 韩国化学研究院 2024-08-13 CN disclosed
CN-111205310-B Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-12-19 CN disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
CN-116621860-A Bcl-2 inhibitors 广州麓鹏制药有限公司 2023-08-22 CN disclosed
CN-111698989-B Heterocyclic substituted pyridine derivatives as antifungal agents 安普利克斯制药公司 2023-08-01 CN disclosed
CN-111511748-B Bcl-2 inhibitors 广州麓鹏制药有限公司 2023-05-02 CN disclosed
EP-4079726-A1 NOVEL PYRIMIDIN DERIVATIVE AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2022-10-26 EP disclosed
EP-4070795-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2022-10-12 EP disclosed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 CN disclosed
CN-109071565-B Tricyclic heterocyclic derivatives 默克专利股份公司 2022-05-10 CN 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 (2 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-20240270698-A2 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 CDK8 478/4885AXL 1342/4885PIK3CA 1039/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 CDK8 478/4885AXL 1342/4885PIK3CA 1039/4885

“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.