SCHEMBL5664664

SCHEMBL5664664

COc1cccc(F)c1-c1nc(C(=O)N2CCC(c3cccnc3)C2)cs1.COc1cccc(F)c1B(O)O.c1cncc(C2CCNC2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 16/20 0.42
PIM3 Q86V86 7/20 0.42
PIM2 Q9P1W9 7/20 0.42
APLNR P35414 1/20 0.41
NAMPT P43490 1/20 0.39
SPR P35270 1/20 0.37

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
SCHEMBL4973107 0.89 APLNR (0.48) PIM1PIM3PIM2APLNRNAMPT
SCHEMBL3546998 0.73 MEN1 (0.47) PIM1PIM3PIM2
SCHEMBL13548687 0.73 MEN1 (0.47) PIM1PIM3PIM2
SCHEMBL3547001 0.70 PIM1 (0.41) PIM1PIM3PIM2APLNR
SCHEMBL5662607 0.70 MAP4K1 (0.41) PIM1PIM3PIM2
SCHEMBL4974911 0.69 HTR2C (0.64) PIM1NAMPTSPR
SCHEMBL5660759 0.69 SPR (0.46) NAMPTSPR
SCHEMBL3538488 0.67 TRPC3 (0.48) PIM1PIM3PIM2
SCHEMBL3540061 0.66 PIM1 (0.44) PIM1PIM3PIM2
SCHEMBL3540062 0.65 PIM1 (0.40) PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 PIM1 1286/4885PIM3 1637/4885PIM2 794/4885

“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.