SCHEMBL9072456

SCHEMBL9072456

COC(=O)CCSc1cnc(N)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 2/20 0.45
▸ CXCR2 P25025 2/20 0.45
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ TRPC6 Q9Y210 5/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ ICAM1 P05362 1/20 0.34
▸ SELE P16581 1/20 0.34

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
SCHEMBL2668579 0.89 ATM (0.39) RAB9ATRPC6MAPTGCK
SCHEMBL15404905 0.77 SLC22A12 (0.39) CXCR1CXCR2NPC1RAB9AGCK
SCHEMBL2667557 0.76 ATM (0.39) CXCR1CXCR2RAB9AMAPTGCK
SCHEMBL16488510 0.76 CXCR1 (0.38) CXCR1CXCR2MAPTL3MBTL1
SCHEMBL14485982 0.74 CXCR1 (0.40) CXCR1CXCR2NPC1RAB9ATDP1
SCHEMBL4072161 0.73 CXCR1 (0.47) CXCR1CXCR2NPC1RAB9ATDP1
SCHEMBL9072457 0.72 CYP1A2 (0.40) RAB9ATDP1MAPTL3MBTL1
SCHEMBL2668583 0.71 MCL1 (0.42) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL16429390 0.70 HSD17B10 (0.36) CXCR1CXCR2RAB9AMAPTSMN1; SMN2
SCHEMBL15514098 0.70 MEN1 (0.39) NPC1RAB9ATRPC6LTA4HGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073658-A1 Dipyridylamine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 — — US disclosed
EP-2684878-A1 DIPYRIDYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-15 — — EP disclosed
WO-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 — — WO disclosed
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 — — 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-20140073658-A1 Dipyridylamine Derivative GCK, GCKR, GALK1 CXCR1 4490/4885CXCR2 4213/4885NPC1 3032/4885

“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.

Send feedback