SCHEMBL16775852

SCHEMBL16775852

Cn1cc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.41
▸ CSF1R P07333 3/20 0.40
▸ KIT P10721 3/20 0.40
▸ RPS6KA3 P51812 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ DDR2 Q16832 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MET P08581 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ SLC5A1 P13866 1/20 0.36

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
SCHEMBL16775844 0.98 NTRK1 (0.40) NTRK1CSF1RKITRPS6KA3CA2
SCHEMBL16776322 0.89 NPC1 (0.44) NTRK1KITCA2CA9FYN
SCHEMBL16775911 0.87 RPS6KA3 (0.43) RPS6KA3RPS6KA2FYNSMN1; SMN2KDR
SCHEMBL16775829 0.87 CA2 (0.41) KITCA2CA9FYNNPC1
SCHEMBL16775824 0.87 HTR2A (0.50) KITCA2CA9
SCHEMBL16776367 0.86 NPC1 (0.44) CA2CA9RPS6KA2FYNNPC1
SCHEMBL16776364 0.86 CA2 (0.43) NTRK1CA2CA9FYNNPC1
SCHEMBL16775998 0.86 RPS6KA3 (0.42) KITRPS6KA3RPS6KA2
SCHEMBL16776329 0.86 FYN (0.42) CA2CA9FYNNPC1SMN1; SMN2
SCHEMBL16775897 0.85 DHODH (0.37) NTRK1CSF1RKITRPS6KA3CA2

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 NTRK1 4730/4885CSF1R 2306/4885KIT 2844/4885

“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.

Send feedback