SCHEMBL44890

SCHEMBL44890

N#Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
GRM5 P41594 7/20 0.49
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
CYP19A1 P11511 4/20 0.42
TP53 P04637 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL4341894 0.83 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL98458 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL19995035 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL4702337 0.80 GRM5 (0.55) NOTUMKDM4EALDH1A1GRM5DRD2
SCHEMBL6854286 0.78 NOTUM (0.55) NOTUMKDM4EALDH1A1MAPK1GRM5
SCHEMBL11493922 0.77 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1GRM5
Water SCHEMBL27714692 0.76 NOTUM (0.62) NOTUMKDM4EALDH1A1MAPK1CHRNA7
SCHEMBL173885 0.75 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1GRM5
SCHEMBL28308809 0.75 ESR2 (0.50) NOTUMKDM4EALDH1A1MAPK1GRM5
SCHEMBL27250 0.74 NOTUM (0.65) NOTUMKDM4EALDH1A1MAPK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340680-B Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2023-05-12 CN claimed
CN-113880765-B 4- (1H-pyrazol-1-yl) biphenyl formamide compound containing diphenyl ether group and application thereof 南京林业大学 2023-04-28 CN claimed
CN-115340680-A Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2022-11-15 CN claimed
CN-113880765-A Diphenyl ether group-containing 4- (1H-pyrazole-1-yl) biphenyl formamide compound and application thereof 南京林业大学 2022-01-04 CN claimed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-20250163049-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS EXELIXIS INC (US) 2025-05-22 US disclosed
CN-118619998-A Ir (C ' ≡ ') (C ' ≡N ') (C ' ++C ') ') configuration-based blue light tri-heteroleptic iridium (III) complex and preparation method thereof 西北大学 2024-09-10 CN disclosed
CN-114341131-B Novel oxadiazole compounds comprising 5-membered heteroaromatic rings for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-09-03 CN disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-11-16 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
CN-1046275-C 2-methoxyiminophenyl-N-methylacetamide derivatives, process for their preparation, their use and compositions containing them BASF AG (DE) 1999-11-10 CN disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
EP-0022078-B1 PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-07-25 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 (4 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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 NOTUM 3531/4885KDM4E 994/4885ALDH1A1 2705/4885
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NOTUM 4501/4885KDM4E 3761/4885ALDH1A1 4654/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 NOTUM 4073/4885KDM4E 1002/4885ALDH1A1 633/4885
US-20250163049-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS USP1, USP2, SUMO1 NOTUM 2884/4885KDM4E 1227/4885ALDH1A1 603/4885

“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.