SCHEMBL4535251

SCHEMBL4535251

Clc1ccc2nc[nH]c2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.39
PARP1 P09874 2/20 0.39
MAPT P10636 2/20 0.37
DYRK1A Q13627 2/20 0.35
PRKCI P41743 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
DPP4 P27487 1/20 0.33
POLA1 P09884 2/20 0.33
BRAF P15056 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
MMP12 P39900 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
CDC7 O00311 1/20 0.32
IKBKB O14920 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32

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
SCHEMBL29805281 1.00 CSNK2A1 (0.39) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL7032602 0.79 PRKCI (0.41) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL4908126 0.79 CSNK2A1 (0.37) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL18554530 0.79 CSNK2A1 (0.37) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL7348969 0.79 PARP1 (0.37) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL1374558 0.78 PRKCI (0.44) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL9738912 0.77 LMNA (0.45) PARP1MAPTDYRK1AALDH1A1KDM4E
Naphthalene SCHEMBL9738334 0.76 LMNA (0.44) PARP1MAPTDYRK1AALDH1A1KDM4E
SCHEMBL23841481 0.75 PARP1 (0.34) CSNK2A1PARP1MAPTDYRK1APRKCI
SCHEMBL20889995 0.75 CSNK2A1 (0.34) CSNK2A1PARP1MAPTDYRK1APRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
US-8211590-B2 Proton conducting material, and electrode and fuel cell using the same PANASONIC CORPORATION (JP) 2012-07-03 US disclosed
US-20090017356-A1 PROTON CONDUCTING MATERIAL, AND ELECTRODE AND FUEL CELL USING THE SAME MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2009-01-15 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 (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-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS CSNK2A1 1622/4885PARP1 381/4885MAPT 3729/4885

“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.