SCHEMBL8024197

SCHEMBL8024197

COc1ccc2c(c1)CCN(C)C2C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.60
DRD1 P21728 7/20 0.55
DRD2 P14416 5/20 0.55
DRD4 P21917 3/20 0.55
DRD5 P21918 5/20 0.53
DRD3 P35462 4/20 0.53
HTR2C P28335 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SRD5A1 P18405 2/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8027382 0.87 MAOA (0.60) MAOADRD1DRD2DRD4DRD5
SCHEMBL5518952 0.83 DRD1 (0.51) DRD1DRD2DRD4DRD5DRD3
SCHEMBL9433750 0.80 DRD1 (0.48) DRD1DRD2DRD4DRD5DRD3
SCHEMBL9259446 0.79 DRD1 (0.64) DRD1DRD2DRD4DRD5DRD3
SCHEMBL27156813 0.79 DRD1 (0.50) DRD1DRD2DRD4DRD5DRD3
SCHEMBL9261882 0.79 DRD1 (0.51) DRD1DRD2DRD4DRD5DRD3
SCHEMBL19439323 0.79 DRD1 (0.47) DRD1DRD2DRD4DRD5DRD3
SCHEMBL26668032 0.78 KMT2A (0.55) DRD1CA1CA2CA9CA14
SCHEMBL9259474 0.77 DRD1 (0.61) DRD1DRD2DRD4DRD5DRD3
SCHEMBL28742343 0.77 CA1 (0.68) DRD1DRD2DRD4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
WO-2023281417-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALTY S.A. (CH) 2023-01-12 WO disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 CN disclosed
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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 (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-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 MAOA 4020/4885DRD1 3867/4885DRD2 3469/4885
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors STK16, STK4, STK26 MAOA 4658/4885DRD1 3255/4885DRD2 3999/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 MAOA 2176/4885DRD1 4840/4885DRD2 4862/4885

“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.