SCHEMBL12053

SCHEMBL12053

Cc1cc(Br)ccc1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 4/20 0.47
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PON1 P27169 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL29418547 1.00 PYCR1 (0.47) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL30831861 0.82 PYCR1 (0.36) PYCR1ALDH1A1MAPK1MAPTPON1
SCHEMBL2807248 0.82 PYCR1 (0.36) PYCR1ALDH1A1MAPK1MAPTPON1
SCHEMBL29676673 0.79 PYCR1 (0.49) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL30169578 0.79 PYCR1 (0.49) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL12164465 0.79 PYCR1 (0.49) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL307129 0.79 PYCR1 (0.49) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL1561687 0.78 CYP2A6 (0.35) PYCR1ALDH1A1MAPK1CYP1A2CYP2C9
SCHEMBL375783 0.77 PYCR1 (0.47) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL8587112 0.77 PYCR1 (0.47) PYCR1KDM5AKDM4CKDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307540-A Synthesis method of avibactam sodium 浙江尖峰药业有限公司 2024-07-09 CN claimed
US-12565500-B2 Substituted pyrrolo[1,2-b]pyridazines and pyrrolo[2,1-f][1,2,4]triazines as Btk inhibitors BIOGEN MA INC. (US) 2026-03-03 US disclosed
EP-4051679-B1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC (US) 2025-08-06 EP disclosed
US-20250034150-A1 BTK INHIBITORS BIOGEN MA INC. 2025-01-30 US disclosed
US-20240327380-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2024-10-03 US disclosed
EP-4429770-A1 BTK INHIBITORS Biogen MA Inc. (US) 2024-09-18 EP disclosed
CN-118307540-A Synthesis method of avibactam sodium 浙江尖峰药业有限公司 2024-07-09 CN disclosed
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 EP disclosed
CN-100351263-C Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2007-11-28 CN disclosed
US-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-07-27 US disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
CN-1688597-A Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2005-10-26 CN disclosed
CN-1688596-A Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2005-10-26 CN disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed
EP-1544208-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-22 EP disclosed
US-4990716-A Preparation of diphenylmethanes THE DOW CHEMICAL COMPANY (US) 1991-02-05 US disclosed
US-4117019-A MANUFACTURE OF O-BENZYLTOLUENES BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed
US-3978144-A MANUFACTURE OF O-BENZYLTOLUENES BASF AKTIENGESELLSCHAFT (DT) 1976-08-31 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 (5 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-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof SLC5A1, SLC5A2, SULT2A1 PYCR1 491/4885KDM5A 1727/4885KDM4C 2482/4885
US-20240327380-A1 BTK INHIBITORS BTK, SYK, LYN PYCR1 4152/4885KDM5A 1542/4885KDM4C 2129/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 PYCR1 780/4885KDM5A 2498/4885KDM4C 1209/4885
US-20250034150-A1 BTK INHIBITORS BTK, SYK, LYN PYCR1 4526/4885KDM5A 1733/4885KDM4C 2564/4885
US-12565500-B2 Substituted pyrrolo[1,2-b]pyridazines and pyrrolo[2,1-f][1,2,4]triazines as Btk inhibitors BTK, SYK, OXSR1 PYCR1 2236/4885KDM5A 1528/4885KDM4C 3204/4885

“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.