SCHEMBL17618848

SCHEMBL17618848

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.44
▸ BRAF P15056 3/20 0.41
▸ CREBBP Q92793 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ LIMK2 P53671 1/20 0.35
▸ CASR P41180 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ RAF1 P04049 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ KIT P10721 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL16238774 0.94 RHOA (0.45) RHOABRAFCREBBPBRD4LIMK2
SCHEMBL17618843 0.89 RHOA (0.35) RHOABRAFABL1
SCHEMBL17618858 0.88 DYRK1A (0.36) RHOABRAFABL1
SCHEMBL19699103 0.87 MAPT (0.42) FYNMAPTABL1
SCHEMBL17618831 0.86 BRAF (0.43) RHOABRAFCREBBPBRD4LIMK2
SCHEMBL17618846 0.85 HTR2C (0.44) MAPTABL1KITCYP1A2HTR2A
SCHEMBL17618812 0.84 RHOA (0.39) RHOABRAFCREBBP
SCHEMBL16249945 0.83 RHOA (0.37) RHOABRAFFYNMAPT
SCHEMBL17618836 0.83 ABL1 (0.38) ABL1HTR2AHTR2CHTR2B
SCHEMBL19365783 0.83 RHOA (0.45) RHOABRAFCREBBPBRD4CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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 (3 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 RHOA 4858/4885BRAF 2804/4885CREBBP 419/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885CREBBP 528/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885CREBBP 528/4885

“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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