SCHEMBL2140701

SCHEMBL2140701

COc1cccnc1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.48
FYN P06241 1/20 0.46
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP11B2 P19099 1/20 0.44
HPGDS O60760 1/20 0.43
PRKDC P78527 2/20 0.43
TDO2 P48775 1/20 0.43
CHEK1 O14757 2/20 0.42
SQOR Q9Y6N5 1/20 0.41
NSD2 O96028 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15674403 0.83 CLK4 (0.55) ALDH1A1HPGDSTDO2MEN1KMT2A
SCHEMBL15674490 0.80 SYK (0.49) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL4056517 0.80 SYK (0.53) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL987247 0.79 SYK (0.51) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL10131329 0.78 SYK (0.48) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL3865219 0.78 SYK (0.48) FYNSYKAURKBINCENPKDM4E
SCHEMBL15674260 0.78 SYK (0.48) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL4152103 0.78 CYP2A6 (0.51) SLC22A12ALDH1A1CYP11B2TDO2SQOR
SCHEMBL30592071 0.78 CYP11B1 (0.55) FYNSYKAURKBINCENPKDM4E
SCHEMBL12498949 0.78 CYP11B1 (0.55) FYNSYKAURKBINCENPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-15 US disclosed
US-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 US disclosed
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 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 (2 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 SLC22A12 3276/4885FYN 520/4885SYK 783/4885
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV SLC22A12 3267/4885FYN 3369/4885SYK 3280/4885

“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.