SCHEMBL16776126

SCHEMBL16776126

CC1(F)CCN(c2cc(-c3ccc4c(n3)N(C(=O)Nc3ccccn3)CCCN4)ccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 8/20 0.39
▸ FGFR4 P22455 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ PRKD1 Q15139 2/20 0.34
▸ PRKD2 Q9BZL6 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ SYK P43405 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16776160 0.90 KARS1 (0.40) KARS1FGFR4PRKD1PRKD2
SCHEMBL16776159 0.87 KARS1 (0.46) KARS1FGFR4RPS6KA3RPS6KA2PRKD1
SCHEMBL16776163 0.84 FGFR4 (0.40) KARS1FGFR4PRKD1PRKD2FAAH
SCHEMBL16776013 0.82 FGFR4 (0.44) KARS1FGFR4RPS6KA3RPS6KA2FAAH
SCHEMBL16776110 0.82 KARS1 (0.39) KARS1FGFR4RPS6KA3RPS6KA2FAAH
SCHEMBL16776129 0.80 FGFR4 (0.42) KARS1FGFR4RPS6KA2FAAHCYP2C9
SCHEMBL16775937 0.80 FGFR4 (0.42) KARS1FGFR4RPS6KA3RPS6KA2FAAH
SCHEMBL16775864 0.79 FGFR4 (0.44) FGFR4RPS6KA3RPS6KA2FAAHADORA2A
SCHEMBL16776089 0.79 FGFR4 (0.46) FGFR4RPS6KA3RPS6KA2FAAHLMNA
SCHEMBL16776194 0.79 FGFR4 (0.42) KARS1FGFR4PRKD1PRKD2FAAH

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-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 KARS1 1760/4885FGFR4 1754/4885RPS6KA3 2368/4885

“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