SCHEMBL16776077

SCHEMBL16776077

CC1(C)CCN(c2cc(-c3ccc4c(n3)N(C(=O)Nc3cncc(F)c3)CCCN4)ccn2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.35
▸ KARS1 Q15046 7/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ KIT P10721 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ KLK1 P06870 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL16776197 0.90 PRKD3 (0.40) DYRK1AKARS1RAF1BRAFWNT1
SCHEMBL16776051 0.89 PRKCI (0.36) DYRK1AKITCYP3A4ALDH1A1TSHR
SCHEMBL16776163 0.88 FGFR4 (0.40) DYRK1AKARS1KITSYK
SCHEMBL16776025 0.85 CYP11B2 (0.38) DYRK1A
SCHEMBL16776147 0.83 KARS1 (0.35) DYRK1AKARS1ABL1
SCHEMBL16776011 0.81 CA9 (0.38) ALDH1A1
SCHEMBL16776160 0.81 KARS1 (0.40) DYRK1AKARS1WNT1GSK3B
SCHEMBL16776000 0.79 PRKCI (0.39) KARS1KITABL1
SCHEMBL16775916 0.79 FAAH (0.38) ALDH1A1TSHR
SCHEMBL16776126 0.79 KARS1 (0.39) KARS1ALDH1A1TSHRCYP2C19SYK

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 DYRK1A 2623/4885KARS1 1760/4885RAF1 2875/4885

“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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