SCHEMBL10254

SCHEMBL10254

N#Cc1cccc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
MAP2K1 Q02750 1/20 0.42
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BRD4 O60885 2/20 0.39
MCL1 Q07820 1/20 0.37
DRD2 P14416 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL31588050 1.00 PARP1 (0.50) PARP1MAP2K1DRD4DRD3IMPDH2
Hydrochloric Acid SCHEMBL34466845 0.98 PARP1 (0.49) PARP1MAP2K1DRD4DRD3IMPDH2
Trifluoroacetic Acid SCHEMBL25208651 0.85 PARP1 (0.49) PARP1DRD4DRD3CTSSCTSK
SCHEMBL3151930 0.81 PARP1 (0.50) PARP1MAP2K1DRD4DRD3BRD4
SCHEMBL28086435 0.79 PARP1 (0.49) PARP1MAP2K1DRD4DRD3BRD4
SCHEMBL14722513 0.74 LMNA (0.37) PARP1CTSSCTSKMEN1ALDH1A1
SCHEMBL15056041 0.73 IP6K1 (0.33) PARP1CTSSCTSKMEN1ALDH1A1
SCHEMBL2498959 0.73 PARP1 (0.42) PARP1DRD4DRD3CTSSCTSK
SCHEMBL20878376 0.73 BRD4 (0.56) PARP1DRD4DRD3BRD4DRD2
SCHEMBL6071431 0.72 KMT2A (0.46) PARP1DRD4DRD3DRD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP claimed
CN-113368253-B Drug carrier based on zeolite imidazole framework structure and preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2022-06-10 CN claimed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO claimed
CN-104768946-A Fused pyrimidines as inhibitors of the p97 complex CLEAVE BIOSCIENCES INC 2015-07-08 CN claimed
EP-2875018-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX Cleave Biosciences, Inc. (US) 2015-05-27 EP claimed
WO-2014015291-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX ZHOU HAN-JIE (US) 2014-01-23 WO claimed
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 US claimed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP claimed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO claimed
WO-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 WO claimed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP claimed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 WO claimed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP claimed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO claimed
US-20260137697-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIV DE MONTREAL (CA) 2026-05-21 US disclosed
US-3988155-A CYANINE SENSITIZING DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-10-26 US disclosed
US-3985563-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-10-12 US 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-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 PARP1 1272/4885MAP2K1 2439/4885DRD4 4391/4885
US-20260137697-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, KRAS, BRAF PARP1 3128/4885MAP2K1 62/4885DRD4 4145/4885

“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.