SCHEMBL2902409

SCHEMBL2902409

CSc1ccc(C(=CC2CCOCC2)c2[nH]c(-c3ccccn3)nc2Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.37
CBFB Q13951 5/20 0.35
MTOR P42345 4/20 0.33
KMT2A Q03164 3/20 0.32
OPRK1 P41145 2/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
TGFBR1 P36897 2/20 0.32
PDE4D Q08499 1/20 0.32
ATR Q13535 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F7 P08709 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2902403 1.00 GCK (0.37) GCKCBFBMTORKMT2AOPRK1
SCHEMBL2902406 1.00 GCK (0.37) GCKCBFBMTORKMT2AOPRK1
SCHEMBL2897195 0.93 CBFB (0.36) GCKCBFBMTORKMT2AOPRK1
SCHEMBL2897194 0.93 CBFB (0.36) GCKCBFBMTORKMT2AOPRK1
SCHEMBL2897191 0.93 CBFB (0.36) GCKCBFBMTORKMT2AOPRK1
SCHEMBL2899871 0.85 GCK (0.54) GCKCBFBKMT2AOPRK1TGFBR1
SCHEMBL2899870 0.85 GCK (0.54) GCKCBFBKMT2AOPRK1TGFBR1
SCHEMBL2899867 0.85 GCK (0.54) GCKCBFBKMT2AOPRK1TGFBR1
SCHEMBL13341869 0.71 GCK (0.56) GCKCBFBKMT2ATGFBR1F2
SCHEMBL2413221 0.70 GCK (0.36) GCK

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
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 GCK 2/4885CBFB 2311/4885MTOR 164/4885

“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.