SCHEMBL15102136

SCHEMBL15102136

COc1cnc2[nH]cc(C(=O)c3ccc(CCc4ccccc4F)nc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.44
▸ MTNR1B P49286 4/20 0.44
▸ MTNR1A P48039 3/20 0.44
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AXL P30530 3/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ DCLK1 O15075 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ FES P07332 1/20 0.40
▸ CSF1R P07333 1/20 0.40

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
SCHEMBL12252447 0.86 BRAF (0.45) AAK1GSK3BDCLK1MAP4K4EGFR
SCHEMBL12252445 0.83 MAP2K1 (0.43) MTNR1AGSK3B
SCHEMBL3700264 0.73 AAK1 (0.45) AAK1MTNR1BMTNR1AAXLGSK3B
SCHEMBL3711724 0.71 AAK1 (0.55) AAK1MTNR1BMTNR1ATP53SMN1; SMN2
SCHEMBL3698741 0.71 AAK1 (0.53) AAK1MTNR1BMTNR1ATP53SMN1; SMN2
SCHEMBL12252455 0.71 CYP2C9 (0.52) AAK1DCLK1MAP4K4NTRK1FES
SCHEMBL12459555 0.71 CYP2C9 (0.51) AAK1MTNR1BMTNR1AAXLCYP2C9
SCHEMBL4528907 0.70 CYP3A4 (0.49) AAK1MAPTGSK3BDCLK1MAP4K4
SCHEMBL3700265 0.70 MTNR1A (0.44) AAK1MTNR1BMTNR1AAXLDYRK1A
SCHEMBL3840763 0.70 BRAF (0.42) AAK1GSK3BDCLK1MAP4K4FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722702-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2014-05-13 — — US disclosed
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. (US) 2013-07-11 — — 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-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 AAK1 1360/4885MTNR1B 1106/4885MTNR1A 1800/4885

“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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