SCHEMBL6161601

SCHEMBL6161601

Brc1ccc2c(c1)C=NCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
PNMT P11086 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
PARP10 Q53GL7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
KDM1A O60341 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHEK2 O96017 1/20 0.32
ROS1 P08922 1/20 0.32
MARK3 P27448 1/20 0.32
LTK P29376 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
AURKB Q96GD4 1/20 0.32
PBK Q96KB5 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
SCHEMBL30782257 1.00 TRPA1 (0.45) TRPA1PNMTASIC3PARP10TDP1
Hydrochloric Acid SCHEMBL6962514 0.98 TRPA1 (0.44) TRPA1PNMTASIC3PARP10TDP1
SCHEMBL1962410 0.84 PNMT (0.36) TRPA1PNMTASIC3PARP10TDP1
Quinoline SCHEMBL28120990 0.81 HTT (0.49) TRPA1ASIC3
SCHEMBL23348757 0.76 PBRM1 (0.37)
SCHEMBL29458622 0.76 ADRA2A (0.39) PARP10PARP1KDM1AHTR2AHTR2C
SCHEMBL28246418 0.76
SCHEMBL4724433 0.76 ADRA2A (0.34) PARP10PARP1METAP1PARP11ADRA2A
SCHEMBL29991918 0.76 HTR2A (0.38) PNMTPARP10PARP1KDM1AHTR2A
SCHEMBL9572969 0.76 ADRA2A (0.39) PARP10PARP1KDM1AHTR2AHTR2C

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
CN-117800963-A Benzoquinolone-cilnidine compound containing exocyclic methylene and preparation method thereof 合肥工业大学 2024-04-02 CN claimed
CN-117800963-A Benzoquinolone-cilnidine compound containing exocyclic methylene and preparation method thereof 合肥工业大学 2024-04-02 CN disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
EP-3517112-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-07-31 EP disclosed
US-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-07-02 US disclosed
US-9962386-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 WO disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
CN-1143647-A Dipeptides which promote release of growth hormone PFIZER (US) 1997-02-26 CN disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 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 (3 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-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme SAE1, SUMO1, SUMO3 TRPA1 4855/4885PNMT 4062/4885ASIC3 4790/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 TRPA1 4855/4885PNMT 4062/4885ASIC3 4790/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 TRPA1 4855/4885PNMT 4062/4885ASIC3 4790/4885

“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.