SCHEMBL4701697

SCHEMBL4701697

CC(C)C1CCc2nc(S)c(C#N)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 8/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 4/20 0.32
HSD17B10 Q99714 4/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13670443 0.82 KDM4E (0.38) KDM4EGAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4705570 0.78 MAPT (0.37) KDM4EGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL4705550 0.76 KDM4E (0.42) KDM4EGAASMN1; SMN2TNKSTNKS2
SCHEMBL5242785 0.74 ALDH1A1 (0.36) KDM4EGAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14955079 0.70 SMN1; SMN2 (0.63) KDM4EGAASMN1; SMN2RAB9ANPC1
SCHEMBL5997173 0.69 MAPT (0.61) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14954856 0.69 MAPT (0.50) KDM4EGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL4703102 0.69 KDM4E (0.35) KDM4EGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL14015632 0.68 DRD2 (0.34)
SCHEMBL21358075 0.68 KDM4E (0.34) KDM4EGAA

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 1311/4885SMN1; SMN2 2022/4885

“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.