SCHEMBL16776386

SCHEMBL16776386

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)n2)[C@H](C)[C@H](C)CN3)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 6/20 0.36
▸ BRAF P15056 2/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ CREBBP Q92793 3/20 0.35
▸ KMO O15229 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ KARS1 Q15046 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ BTK Q06187 2/20 0.31
▸ ITK Q08881 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ WNT1 P04628 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL16776379 0.81 WNT1 (0.39) BRAFBRD4CREBBPWNT1GSK3B
SCHEMBL16775780 0.80 IMPDH2 (0.37) IMPDH2BRAFBRD4CREBBPIMPDH1
SCHEMBL16776296 0.78 RHOA (0.36) BRAFBRD4CREBBPKMOKARS1
SCHEMBL16776403 0.78 MTOR (0.35) IMPDH2BRAFBRD4CREBBPHTR1A
SCHEMBL16776108 0.76 CREBBP (0.45) IMPDH2BRAFBRD4CREBBPIMPDH1
SCHEMBL16776420 0.76 PIM1 (0.34) BRAFBRD4CREBBPHTR1AADORA2A
SCHEMBL16776399 0.76 CREBBP (0.42) IMPDH2BRAFBRD4CREBBPGSK3B
SCHEMBL16776376 0.75 POLB (0.41) BRAFKMOKARS1
SCHEMBL16785659 0.73 DYRK1A (0.37) BRAFBRD4CREBBPWNT1GSK3B
SCHEMBL16776391 0.73 SLC5A1 (0.34) —

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 IMPDH2 1200/4885BRAF 3419/4885BRD4 180/4885

“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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