SCHEMBL652414

SCHEMBL652414

Brc1nccc2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
PRKCI P41743 2/20 0.39
AHR P35869 3/20 0.38
AXL P30530 2/20 0.38
NUDT1 P36639 1/20 0.38
TNF P01375 1/20 0.35
RIPK1 Q13546 1/20 0.35
PIM3 Q86V86 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP2A6 P11509 1/20 0.33
NR4A2 P43354 1/20 0.33
BRD4 O60885 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
KEAP1 Q14145 1/20 0.33
DAO P14920 1/20 0.33
PDE3B Q13370 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
SCHEMBL9942590 0.76 AHR (0.43) GRM5PRKCIAHRAXLNUDT1
SCHEMBL23233865 0.76 GRM5 (0.41) GRM5PRKCIAHRAXLNUDT1
SCHEMBL30122523 0.74 DYRK1A (0.48) GRM5PRKCIAHRAXLNUDT1
SCHEMBL30678614 0.74 GRM5 (0.43) GRM5PRKCIAHRAXLNUDT1
SCHEMBL30781502 0.74 TNF (0.44) GRM5PRKCIAHRAXLNUDT1
SCHEMBL1154874 0.74 GRM5 (0.43) GRM5PRKCIAHRAXLNUDT1
SCHEMBL2633337 0.74 GRM5 (0.43) GRM5AHRAXLNUDT1TNF
SCHEMBL401223 0.74 NOS3 (0.42) GRM5PRKCIAHRAXLNUDT1
SCHEMBL762091 0.74 DYRK1A (0.48) GRM5PRKCIAHRAXLNUDT1
SCHEMBL18237616 0.71 GRM5 (0.38) GRM5PRKCIAHRAXLNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680423-A1 AZABENZODIAZEPINES AS PHOSPHODIESTERASE-4 INHIBITORS Warner-Lambert Company LLC (US) 2006-07-19 EP claimed
WO-2005040168-A1 AZABENZODIAZEPINES AS PHOSPHODIESTERASE-4 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-05-06 WO claimed
EP-1526135-A1 Azabenzodiazepines as pde4 inhibitors Warner-Lambert Company LLC (US) 2005-04-27 EP claimed
CN-119330941-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2025-01-21 CN disclosed
US-20240245675-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. 2024-07-25 US disclosed
EP-4377298-A1 PROTEIN SECRETION INHIBITORS Gate Bioscience, Inc. (US) 2024-06-05 EP disclosed
CN-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 CN disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-5721246-A ANTITUMOR AGENTS; LOW TOXICITY EISAI CO., LTD. (JP) 1998-02-24 US disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 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 (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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 GRM5 2193/4885PRKCI 675/4885AHR 2753/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA GRM5 1443/4885PRKCI 3395/4885AHR 1309/4885
US-20240245675-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G GRM5 3882/4885PRKCI 1057/4885AHR 4407/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 GRM5 1929/4885PRKCI 4545/4885AHR 2122/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 GRM5 1534/4885PRKCI 2931/4885AHR 796/4885

“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.