SCHEMBL2651387

SCHEMBL2651387

O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.62
FFAR2 O15552 5/20 0.61
KCNH2 Q12809 1/20 0.55
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2650901 0.85 GCK (0.65) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2650862 0.85 GCK (0.67) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2664673 0.84 GCK (0.74) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2650845 0.84 GCK (0.70) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2645989 0.84 GCK (0.70) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2664627 0.83 GCK (0.67) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2647924 0.83 GCK (0.71) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2647740 0.83 GCK (0.71) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2650810 0.82 GCK (0.65) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2651305 0.82 GCK (0.65) GCKFFAR2KCNH2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282612-B1 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-29 EP claimed
EP-1282612-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP claimed
US-6388071-B2 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-05-14 US claimed
US-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. 2001-12-20 US claimed
WO-2001083465-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO claimed
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
EP-1282612-B1 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1282612-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6388071-B2 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
US-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. 2001-12-20 US disclosed
WO-2001083465-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators GCK, GCKR, HK2 GCK 1/4885FFAR2 813/4885KCNH2 937/4885

“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.