SCHEMBL6941525

SCHEMBL6941525

ClCCCCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.54
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GBA1 P04062 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
EPHX2 P34913 1/20 0.43
NAAA Q02083 2/20 0.42
KCNA3 P22001 2/20 0.41
KCNA5 P22460 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
SCHEMBL10825883 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL3289641 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL10826161 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL3488296 0.98 TSHR (0.56) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL31018369 0.96 L3MBTL1 (0.51) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL31018373 0.94 L3MBTL1 (0.50) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL1001167 0.92 TSHR (0.58) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL14673059 0.91 TSHR (0.48) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL14673427 0.91 TSHR (0.48) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL14673320 0.91 TSHR (0.48) L3MBTL1TDP1TSHRHRH4HRH3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015128334-A9 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS LABORATOIRE BIODIM (FR) 2015-10-15 WO disclosed
WO-2015128334-A1 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-2913333-A1 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents LABORATOIRE BIODIM (FR) 2015-09-02 EP disclosed
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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 (1 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 L3MBTL1 1139/4885TDP1 210/4885TSHR 4411/4885

“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.