SCHEMBL1020952

SCHEMBL1020952

Brc1ccc2c(n1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
MAPK10 P53779 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GRM5 P41594 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL30484334 1.00 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL22852086 0.95 PRNP (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL13068957 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL29648993 0.76 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL2301675 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4599116 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL30946643 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1020718 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3373891 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31494678 0.73 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 CN disclosed
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-10-13 US disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 EP disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
WO-2020259724-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 上海医药集团股份有限公司 2020-12-30 WO disclosed
CN-112142748-A Pyrazolone pyrimidine compound, preparation method and application thereof 上海医药集团股份有限公司 2020-12-29 CN disclosed
CN-105884752-B And ring class gyrase and topoisomerase I V inhibitor 山东轩竹医药科技有限公司 2018-08-31 CN disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO disclosed
US-20030119870-A1 Pyridine substituted isoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 US disclosed
US-5026854-A Bromination, cyclization JOHN WYETH & BROTHER LIMITED (GB) 1991-06-25 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 (6 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 ADRA2A 1769/4885ADRA2B 971/4885ADRA2C 673/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 ADRA2A 4704/4885ADRA2B 4494/4885ADRA2C 4557/4885
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor WEE1, WEE2, WASF2 ADRA2A 4706/4885ADRA2B 4552/4885ADRA2C 4682/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B ADRA2A 2360/4885ADRA2B 2060/4885ADRA2C 1568/4885
US-20030119870-A1 Pyridine substituted isoquinoline derivatives GRIN1, GRIN2C, GRIN2A ADRA2A 616/4885ADRA2B 746/4885ADRA2C 415/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ADRA2A 3987/4885ADRA2B 4210/4885ADRA2C 4358/4885

“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.