SCHEMBL16776371

SCHEMBL16776371

Cc1cncc(NC(=O)N2C[C@H](C)CNc3ccc(-c4cccc(Cl)c4)nc32)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.38
▸ PRMT5 O14744 10/20 0.38
▸ WDR77 Q9BQA1 10/20 0.38
▸ TSHR P16473 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ KDR P35968 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM5 P41594 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
SCHEMBL16776374 0.90 TSHR (0.46) BRAFTSHRTP53GAASMN1; SMN2
SCHEMBL16776366 0.88 PHGDH (0.40) PRMT5WDR77
SCHEMBL16776380 0.83 BRAF (0.46) BRAFBRD4CREBBPLIMK2TP53
SCHEMBL16776372 0.82 CNR2 (0.51) CNR2TP53GAASMN1; SMN2GRM5
SCHEMBL16776381 0.82 ABL1 (0.36) CNR2SMN1; SMN2
SCHEMBL16776375 0.82 FAAH (0.38) BRAFCNR2TP53GAASMN1; SMN2
SCHEMBL19670426 0.81 TP53 (0.39) BRAFTSHRCNR2TP53GAA
SCHEMBL16776373 0.80 FGFR4 (0.40) BRAFLIMK2CNR2GRM5
SCHEMBL16785644 0.80 TSHR (0.46) TSHRTP53GAASMN1; SMN2
SCHEMBL16776378 0.78 P2RY1 (0.39) BRAFCNR2TP53SMN1; SMN2

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 BRAF 3419/4885PRMT5 209/4885WDR77 1434/4885

“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