SCHEMBL3726426

SCHEMBL3726426

FC(F)(F)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.54
CCR5 P51681 5/20 0.50
MRGPRX4 Q96LA9 4/20 0.50
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 2/20 0.49
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL30955958 1.00 PTGER1 (0.54) PTGER1CCR5MRGPRX4RXRARXRB
SCHEMBL31065348 0.85 CCR5 (0.49) PTGER1CCR5SLC6A4ALDH1A1USP28
SCHEMBL2146375 0.85 CYP3A4 (0.51) PTGER1CCR5MRGPRX4RXRARXRB
SCHEMBL5367447 0.84 PTGDR2 (0.60) CCR5RXRARXRBRXRGSLC6A4
SCHEMBL26262216 0.84 PTGER1 (0.47) PTGER1CCR5MRGPRX4RXRARXRB
SCHEMBL20756090 0.83 RXRA (0.54) MRGPRX4RXRARXRBRXRGSLC6A4
SCHEMBL2146575 0.83 CTSS (0.49) PTGER1MRGPRX4SLC6A4ALDH1A1USP28
SCHEMBL15600393 0.82 CCR5 (0.51) PTGER1CCR5RXRARXRBRXRG
SCHEMBL25337365 0.82 KDM1A (0.49) PTGER1CCR5MRGPRX4RXRARXRB
SCHEMBL14453588 0.81 MRGPRX4 (0.50) PTGER1MRGPRX4RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254138-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-01 US disclosed
EP-4305040-A1 TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN Pharmaceutica NV (BE) 2024-01-17 EP disclosed
CN-116940577-A Tricyclic pyridines as cyclin dependent kinase 7 (CDK 7) inhibitors 詹森药业有限公司 2023-10-24 CN disclosed
WO-2022189387-A1 TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-09-15 WO disclosed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
CN-102459264-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
CN-1080251-C Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use inproduct of said dihalopropene compounds SUMITOMO CHEMICAL CO (JP) 2002-03-06 CN disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
CN-1108642-A Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use inproduct of said dihalopropene compounds SUMITOMO CHEMICAL CO (JP) 1995-09-20 CN disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 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 (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-20240254138-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CDK2, CCNK PTGER1 1584/4885CCR5 1644/4885MRGPRX4 3923/4885
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 PTGER1 1398/4885CCR5 3237/4885MRGPRX4 2905/4885

“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.