SCHEMBL17618837

SCHEMBL17618837

O=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(Cl)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.36
▸ RHOA P61586 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ CNR2 P34972 9/20 0.34
▸ CNR1 P21554 4/20 0.34
▸ GAK O14976 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL16775774 0.89 BRAF (0.35) BRAFRHOAHTR1A
SCHEMBL17618833 0.89 RHOA (0.38) BRAFRHOACNR2CNR1GRM5
SCHEMBL16249945 0.89 RHOA (0.37) BRAFRHOACNR2
SCHEMBL17618831 0.89 BRAF (0.43) BRAFRHOACNR2CNR1
SCHEMBL17618843 0.85 RHOA (0.35) BRAFRHOAHTR1A
SCHEMBL17618826 0.83 POLB (0.41) BRAFCNR2GRM5
SCHEMBL16249977 0.82 CNR2 (0.51) CNR2CNR1HCRTR1HCRTR2GRM5
SCHEMBL17618829 0.82 FAAH (0.40) CNR2CNR1
SCHEMBL19670539 0.81 BRAF (0.37) BRAFRHOAHTR1ACNR2CNR1
SCHEMBL17618832 0.81 MPL (0.41) CNR2CNR1HCRTR1HCRTR2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BRAF 2804/4885RHOA 4858/4885HTR1A 4635/4885

“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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