SCHEMBL16776238

SCHEMBL16776238

Cc1ccncc1-c1ccc2c(n1)N(C(=O)Nc1cncc(F)c1)[C@H](C)CCCN2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.37
▸ MAP4K1 Q92918 11/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL16776249 0.88 ABL1 (0.39) ABL1HTR2AHTR2C
SCHEMBL16776236 0.86 PRMT5 (0.38) PRMT5WDR77
SCHEMBL16776207 0.85 GSK3B (0.37) ABL1PRMT5WDR77
SCHEMBL16776242 0.83 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776244 0.83 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776261 0.83 ABL1 (0.37) ABL1
SCHEMBL16776145 0.83 TRPV3 (0.35) HTR2AHTR2CHTR2B
SCHEMBL16776232 0.82 ABL1 (0.39) ABL1MAP4K1
SCHEMBL16776115 0.82 PIM1 (0.34) —
SCHEMBL16776247 0.81 ABL1 (0.37) ABL1MAP4K1

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 ABL1 4089/4885MAP4K1 2341/4885CYP1A2 3492/4885

“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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