SCHEMBL7048629

SCHEMBL7048629

CN(C)c1cnc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.55
▸ CKS1B P61024 1/20 0.53
▸ SKP1 P63208 1/20 0.53
▸ SKP2 Q13309 1/20 0.53
▸ RAB9A P51151 6/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ GAA P10253 3/20 0.49
▸ PDE10A Q9Y233 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HTT P42858 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 3/20 0.44
▸ ATM Q13315 1/20 0.44

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
Hydrochloric Acid SCHEMBL28590788 0.98 NCF1 (0.53) NCF1CKS1BSKP1SKP2RAB9A
SCHEMBL5435508 0.83 RAB9A (0.49) NCF1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL13557867 0.80 KDM4E (0.47) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL13557874 0.80 RAB9A (0.50) NCF1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL6034068 0.79 HTT (0.50) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL28585105 0.78 PDE10A (0.47) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL13557884 0.77 RAB9A (0.48) NCF1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL22059366 0.76 NQO2 (0.47) NCF1CKS1BSKP1SKP2RAB9A
Hydrochloric Acid SCHEMBL28608866 0.76 PDE10A (0.46) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL12910131 0.76 NCF1 (0.44) NCF1CKS1BSKP1SKP2RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206885-A Pyrazolo [3,4-B ] pyrazine SHP2 phosphatase inhibitors 大冢制药株式会社 2022-03-18 — — CN claimed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 — — CN claimed
CN-102143951-A Tri-substituted pyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2011-08-03 — — CN claimed
CN-118184629-B Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof 中国药科大学 2025-02-07 — — CN disclosed
CN-118184629-A Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof 中国药科大学 2024-06-14 — — CN disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 — — US disclosed
CN-114206885-A Pyrazolo [3,4-B ] pyrazine SHP2 phosphatase inhibitors 大冢制药株式会社 2022-03-18 — — CN disclosed
CN-113135898-B Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof 中国药科大学 2022-02-11 — — CN disclosed
CN-113135898-A Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof 中国药科大学 2021-07-20 — — CN disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 — — US disclosed
CN-104918941-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-09-16 — — CN disclosed
CN-101429167-B Process for producing novel cadmium ion artificial antigen chelating agent UNIV ZHEJIANG FORESTRY 2012-06-06 — — CN disclosed
CN-102197031-A Substituted 5-aminopyrazoles and use thereof BAYER SCHERING PHARMA AG 2011-09-21 — — CN disclosed
CN-102143951-A Tri-substituted pyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2011-08-03 — — CN disclosed
CN-101597266-A The preparation of the synthetic and nickel monoclonal antibody of nickel-ion artificial antigen chelant UNIV ZHEJIANG FORESTRY (CN) 2009-12-09 — — CN disclosed
CN-101429167-A Process for producing novel cadmium ion artificial antigen chelating agent UNIV ZHEJIANG FORESTRY (CN) 2009-05-13 — — CN disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 — — EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 — — US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 — — EP 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 (3 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 NCF1 3920/4885CKS1B 2030/4885SKP1 167/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC NCF1 3484/4885CKS1B 4871/4885SKP1 4277/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 NCF1 1573/4885CKS1B 658/4885SKP1 245/4885

“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.

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