SCHEMBL843448

SCHEMBL843448

Clc1cncc(Cl)c1CBr

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PDE4D Q08499 2/20 0.32
ADRB2 P07550 1/20 0.31
BDKRB2 P30411 1/20 0.31
ACP1 P24666 1/20 0.31
P2RX7 Q99572 1/20 0.31

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 SCHEMBL6627934 0.97 PDE4D (0.31) GAAPDE4DADRB2BDKRB2ACP1
Bromide SCHEMBL844917 0.97 PDE4D (0.31) GAAPDE4DADRB2BDKRB2ACP1
SCHEMBL31667050 0.85 NOX1 (0.30)
SCHEMBL19973145 0.84 KCNQ2 (0.31) ADRB2
SCHEMBL13059147 0.84 BDKRB2 (0.33) PDE4DBDKRB2
SCHEMBL844637 0.80 PDE4D (0.33) PDE4D
SCHEMBL6514186 0.79 PDE4D (0.30) GAAPDE4D
SCHEMBL13059180 0.79 PDE4D (0.30) GAAPDE4D
SCHEMBL19973149 0.79 CYP11B1 (0.34)
SCHEMBL1563996 0.74 GAA (0.33) GAAPDE4DADRB2BDKRB2ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431362-A Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-02-14 CN disclosed
WO-2023196614-A1 METHODS AND COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS AXONIS THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
WO-2023196614-A1 METHODS AND COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS AXONIS THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
CN-116490498-A Pyrimido cyclic compounds and application thereof in preparation of medicines for treating pains and spinal cord injuries 南京药石科技股份有限公司 2023-07-25 CN disclosed
WO-2022194261-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND USE THEREOF IN PREPARATION OF DRUG FOR TREATING PAIN AND SPINAL CORD INJURY 南京药石科技股份有限公司 2022-09-22 WO disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 JANSEN PHARMACEUTICA NV (BE) 2018-09-18 US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
WO-1999035163-A1 PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-15 WO disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 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 (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-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 GLRA1, GRM5, TRHR GAA 3306/4885PDE4D 926/4885ADRB2 541/4885
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR GAA 3306/4885PDE4D 926/4885ADRB2 541/4885

“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.