SCHEMBL2276872

SCHEMBL2276872

c1ccc2[nH]c(C3CC3)nc2c1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
HTR2B P41595 5/20 0.57
NPY5R Q15761 1/20 0.56
KMT2A Q03164 1/20 0.55
PKM P14618 2/20 0.53
GID4 Q8IVV7 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ABCB11 O95342 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IDO1 P14902 1/20 0.51

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
Hydrochloric Acid SCHEMBL31596380 0.98 MAPT (0.57) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL2674802 0.92 HTR2B (0.55) POLBMAPTHTR2BNPY5RKMT2A
SCHEMBL6756134 0.92 NPC1 (0.59) POLBMAPTHTR2BNPY5RKMT2A
SCHEMBL2640467 0.91 HTR2B (0.57) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL6753945 0.91 TRPC3 (0.55) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL6757201 0.91 NPC1 (0.62) POLBMAPTHTR2BNPY5RKDM4E
SCHEMBL724921 0.91 NPC1 (0.62) POLBMAPTHTR2BNPY5RKDM4E
Ammonia Solution, Strong SCHEMBL5028354 0.90 TRPC3 (0.54) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL2640300 0.90 PARP1 (0.56) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL2106423 0.89 HTR2B (0.52) ALDH1A1POLBMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112250837-B Bio-based furan epoxy resin and method for preparing bio-based furan epoxy resin by thermal curing of solvent-free anhydride 南京先进生物材料与过程装备研究院有限公司 2023-05-05 CN claimed
CN-112250837-A Bio-based furan epoxy resin and method for preparing bio-based furan epoxy resin through solvent-free anhydride thermosetting 南京先进生物材料与过程装备研究院有限公司 2021-01-22 CN claimed
CN-116535300-B Method for catalyzing 5-chloro-2-pentanone to generate cyclopropyl methyl ketone by eutectic solvent 中国科学院山西煤炭化学研究所 2024-12-20 CN disclosed
CN-117466884-A Heterocyclic compounds or salts thereof as ATR kinase inhibitors, pharmaceutical compositions containing same and uses thereof 德州大学系统董事会 2024-01-30 CN disclosed
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
CN-111867590-B Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2023-11-17 CN disclosed
CN-116535300-A Method for catalyzing 5-chloro-2-pentanone to generate cyclopropyl methyl ketone by eutectic solvent 中国科学院山西煤炭化学研究所 2023-08-04 CN disclosed
CN-112250837-B Bio-based furan epoxy resin and method for preparing bio-based furan epoxy resin by thermal curing of solvent-free anhydride 南京先进生物材料与过程装备研究院有限公司 2023-05-05 CN disclosed
CN-115850039-A Method for synthesizing cyclopropyl methyl ketone through imine intermediate 江苏中旗科技股份有限公司 2023-03-28 CN disclosed
US-11434233-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-06 US disclosed
US-20210371992-A1 ELECTROCHEMICAL ORGANIC REACTION SETUP AND METHODS PIRAMAL PHARMA LIMITED (IN) 2021-12-02 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ALDH1A1 1051/4885POLB 885/4885MAPT 4213/4885
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 ALDH1A1 750/4885POLB 1005/4885MAPT 3924/4885
US-11434233-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 ALDH1A1 3630/4885POLB 597/4885MAPT 3973/4885

“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.