SCHEMBL4703102

SCHEMBL4703102

CC1Cc2nc(S)c(C#N)cc2CC1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4705401 0.83 POLB (0.37) KDM4EGAAPOLBMEN1ALDH1A1
SCHEMBL4705550 0.80 KDM4E (0.42) KDM4EGAAPOLBSMN1; SMN2
SCHEMBL4705570 0.77 MAPT (0.37) KDM4EGAAPOLBMEN1ALDH1A1
SCHEMBL13670443 0.74 KDM4E (0.38) KDM4EGAAPOLBMEN1ALDH1A1
SCHEMBL4706103 0.72 PNMT (0.35)
SCHEMBL4703109 0.69 KDM4E (0.56) KDM4EPOLBMEN1ALDH1A1KMT2A
SCHEMBL4701697 0.69 KDM4E (0.40) KDM4EGAAPOLBALDH1A1KMT2A
SCHEMBL5242785 0.65 ALDH1A1 (0.36) KDM4EGAAMEN1ALDH1A1KMT2A
SCHEMBL14955079 0.65 SMN1; SMN2 (0.63) KDM4EGAAALDH1A1KMT2ARAB9A
SCHEMBL14954856 0.64 MAPT (0.50) KDM4EGAAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C KDM4E 501/4885GAA 1311/4885POLB 859/4885

“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.