SCHEMBL6900384

SCHEMBL6900384

CC(=O)Cc1cccc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
RAB9A P51151 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
HSD17B3 P37058 1/20 0.40
GRM5 P41594 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL869497 0.84 KMT2A (0.53) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL29684288 0.84 KMT2A (0.53) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL6510299 0.82 P2RX7 (0.49) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL19837458 0.82 ALDH1A1 (0.47) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL29351319 0.82 P2RX7 (0.49) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL28631700 0.81 KMT2A (0.47) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL12844111 0.79 NPSR1 (0.41) NPSR1SMN1; SMN2ALDH1A1POLB
SCHEMBL22250454 0.79 P2RX7 (0.46) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL21241289 0.79 KMT2A (0.42) P2RX7KMT2AMEN1OPRM1OPRD1
SCHEMBL10381880 0.79 MEN1 (0.52) P2RX7KMT2AMEN1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405453-B1 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2024-05-29 EP claimed
CN-108884032-B Method for preparing poly (carbonate-etherimide) compounds PTT全球化学股份有限公司 2021-10-15 CN claimed
US-10759904-B2 Method for preparing poly(carbonate-etherimide) compound PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2020-09-01 US claimed
US-20190202980-A1 METHOD FOR PREPARING POLY(CARBONATE-ETHERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2019-07-04 US claimed
EP-3405453-A2 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT Global Chemical Public Company Limited (TH) 2018-11-28 EP claimed
EP-3405453-B1 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2024-05-29 EP disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
CN-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 CN disclosed
WO-2022149167-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST BUGWORKS RESEARCH INDIA PVT LTD (IN) 2022-07-14 WO disclosed
US-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-23 US disclosed
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-16 US disclosed
US-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-01-29 US disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 EP disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO disclosed
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 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 (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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR P2RX7 3873/4885KMT2A 3925/4885MEN1 1926/4885
US-20110152291-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS SELP, SELL, SELE P2RX7 466/4885KMT2A 3906/4885MEN1 4309/4885
US-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 P2RX7 42/4885KMT2A 2890/4885MEN1 1203/4885
US-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS SELP, SELE, SELL P2RX7 662/4885KMT2A 4561/4885MEN1 3851/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 P2RX7 9/4885KMT2A 3843/4885MEN1 3984/4885
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY SELPLG, SELP, SELL P2RX7 866/4885KMT2A 3448/4885MEN1 3849/4885

“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.