SCHEMBL14897930

SCHEMBL14897930

O=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.41
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ KMO O15229 2/20 0.39
▸ BRAF P15056 4/20 0.38
▸ GRM4 Q14833 2/20 0.37
▸ NTRK1 P04629 2/20 0.36
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ ATR Q13535 1/20 0.36
▸ UBA1 P22314 2/20 0.36
▸ UBE2E1 P51965 2/20 0.36
▸ STK33 Q9BYT3 1/20 0.36
▸ TP53 P04637 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
SCHEMBL14897476 0.85 KMO (0.47) CHRM4KMOBRAFNTRK1PIK3C3
SCHEMBL14897771 0.85 CHRM4 (0.43) CHRM4KMOBRAFNTRK1PIK3C3
SCHEMBL14896691 0.85 CSNK1D (0.39) RBP4CASP3SENP8SENP7SENP6
SCHEMBL14897772 0.84 GRM4 (0.47) CHRM4KMOBRAFGRM4NTRK1
SCHEMBL14897696 0.82 BRAF (0.51) CHRM4KMOBRAF
SCHEMBL14881675 0.82 BRAF (0.41) CHRM4KMOBRAFGRM4NTRK1
SCHEMBL14897472 0.82 BRAF (0.43) CHRM4KMOBRAFNTRK1ATR
SCHEMBL14897900 0.82 KMO (0.44) CHRM4KMOBRAFGRM4NTRK1
SCHEMBL14897769 0.81 TLR7 (0.43) CHRM4KMOBRAFNTRK1PIK3C3
SCHEMBL16193111 0.81 GRM4 (0.38) RBP4CASP3SENP8SENP7SENP6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
WO-2013059594-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO 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-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RBP4 3128/4885CASP3 267/4885SENP8 1171/4885

“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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