SCHEMBL1034673

SCHEMBL1034673

FC(F)(F)Oc1cccc(-c2ccc3cccc(NCC4CCCC4)c3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 17/20 0.45
▸ PIM2 Q9P1W9 7/20 0.45
▸ KCNH2 Q12809 4/20 0.45
▸ FLT3 P36888 2/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ GAK O14976 1/20 0.41
▸ STK10 O94804 1/20 0.41
▸ YES1 P07947 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ PKN1 Q16512 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ SIK2 Q9H0K1 1/20 0.41
▸ SLK Q9H2G2 1/20 0.41
▸ BMP2K Q9NSY1 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ RPS6KA6 Q9UK32 1/20 0.41
▸ IRAK3 Q9Y616 1/20 0.41

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
SCHEMBL1031605 0.84 RXFP1 (0.48) PIM1PIM2MAP4K4
SCHEMBL1034300 0.77 GRM5 (0.44) KCNH2HASPINMAP4K4ACP1
SCHEMBL1032557 0.76 CYP3A4 (0.55) PIM1PIM2PIM3
SCHEMBL1034665 0.75 CTSA (0.41) ACP1
SCHEMBL1031607 0.74 SLC40A1 (0.47) PIM1PIM2FLT3MAP4K4ACP1
SCHEMBL1029911 0.73 XDH (0.53) KCNH2HASPINMAP4K4
SCHEMBL1241972 0.72 PIM1 (0.48) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL1029916 0.72 HDAC1 (0.52) —
SCHEMBL1076614 0.71 HDAC1 (0.51) —
SCHEMBL1033797 0.70 XDH (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PIM1 4218/4885PIM2 4174/4885KCNH2 3369/4885

“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.

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