SCHEMBL16776365

SCHEMBL16776365

C[C@@H]1CNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N(C(=O)Nc2ccncn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.43
▸ FYN P06241 1/20 0.40
▸ CPT2 P23786 2/20 0.38
▸ CPT1A P50416 2/20 0.38
▸ CPT1B Q92523 1/20 0.38
▸ AR P10275 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ SLC5A1 P13866 6/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL16776360 0.85 HTR2C (0.46) FAAHBRAFKDRMAPK14
SCHEMBL16775819 0.85 MPL (0.44) MPLFYNCPT2CPT1ACPT1B
SCHEMBL16775834 0.84 MPL (0.44) MPLFYNCPT2CPT1ACPT1B
SCHEMBL16776366 0.83 PHGDH (0.40) FYNARKMOSLC5A1CA2
SCHEMBL16776347 0.83 ALOX15 (0.38) SLC5A1FAAHGRIN1GRIN2BBRAF
SCHEMBL16776357 0.83 BRAF (0.40) KMOSLC5A1CA2CA9GRIN1
SCHEMBL16776359 0.83 NPC1 (0.38) KMOSLC5A1CA2CA9ADORA2A
SCHEMBL17655440 0.81 MPL (0.44) MPLFYNCPT2CPT1ACPT1B
SCHEMBL16775914 0.81 CPT2 (0.38) CPT2CPT1ACPT1BKMOGRIN1
SCHEMBL16776361 0.80 BRAF (0.44) FYNSLC5A1CA2CA9BRAF

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 3547/4885FYN 2694/4885CPT2 56/4885

“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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