SCHEMBL16249980

SCHEMBL16249980

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.43
▸ CNR1 P21554 6/20 0.42
▸ BRAF P15056 1/20 0.41
▸ CREBBP Q92793 3/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ CASR P41180 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ LMNA P02545 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
SCHEMBL17618598 1.00 RHOA (0.43) RHOACNR1BRAFCREBBPBRD4
SCHEMBL19365359 1.00 RHOA (0.43) RHOACNR1BRAFCREBBPBRD4
SCHEMBL20632009 0.95 RHOA (0.45) RHOACNR1BRAFCREBBPBRD4
SCHEMBL16776225 0.95 CREBBP (0.43) RHOACNR1BRAFCREBBPBRD4
SCHEMBL16775764 0.91 IMPDH2 (0.44) RHOACNR1BRAFCREBBPBRD4
SCHEMBL16775784 0.91 IMPDH2 (0.44) RHOACNR1BRAFCREBBPBRD4
SCHEMBL17618491 0.89 RHOA (0.41) RHOACNR1BRAFCREBBPBRD4
SCHEMBL17618770 0.89 CREBBP (0.42) RHOACNR1BRAFCREBBPBRD4
SCHEMBL16775765 0.89 RHOA (0.44) RHOABRAFCREBBPBRD4CASR
SCHEMBL19865069 0.89 RHOA (0.48) 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 12 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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP 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
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO 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
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 — — 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 (4 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 4858/4885CNR1 3355/4885BRAF 2804/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885CNR1 2946/4885BRAF 3419/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885CNR1 2946/4885BRAF 3419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885CNR1 2946/4885BRAF 3419/4885

“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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