SCHEMBL16775899

SCHEMBL16775899

Cc1cc(C(F)(F)F)nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ KDM1A O60341 3/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CTPS1 P17812 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ SLC5A1 P13866 3/20 0.35
▸ BRAF P15056 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL16776479 0.85 SLC5A1 (0.41) JAK2KMOFYNMEN1KMT2A
SCHEMBL16776472 0.85 CA2 (0.41) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16775863 0.84 TRPA1 (0.41) ADORA2AKDM1AFYNMAOAMAOB
SCHEMBL19670583 0.84 KMT2A (0.39) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16775884 0.84 MTOR (0.37) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16776478 0.83 SCN9A (0.39) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16785537 0.83 SCN9A (0.39) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16775999 0.83 ADORA2A (0.36) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16775862 0.83 CNR2 (0.40) ADORA2AJAK2KMOKDM1AFYN
SCHEMBL16785582 0.83 ADORA2A (0.37) ADORA2AJAK2KMOKDM1AFYN

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 ADORA2A 2325/4885JAK2 2392/4885KMO 768/4885

“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