SCHEMBL17618694

SCHEMBL17618694

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ CREBBP Q92793 3/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ RHOA P61586 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LIMK2 P53671 1/20 0.37
▸ CASR P41180 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ GPR142 Q7Z601 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35

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
SCHEMBL17618870 0.92 DYRK1A (0.35) BRAFWNT3AWNT1GSK3BDYRK1A
SCHEMBL17767959 0.91 DYRK1A (0.42) WNT1GSK3BDYRK1A
SCHEMBL17618869 0.91 DYRK1A (0.42) WNT1GSK3BDYRK1A
SCHEMBL16775764 0.91 IMPDH2 (0.44) BRAFCREBBPBRD4RHOANPC1
SCHEMBL16775784 0.91 IMPDH2 (0.44) BRAFCREBBPBRD4RHOANPC1
SCHEMBL16249980 0.88 RHOA (0.43) BRAFCREBBPBRD4RHOANPC1
SCHEMBL17618598 0.88 RHOA (0.43) BRAFCREBBPBRD4RHOANPC1
SCHEMBL19365359 0.88 RHOA (0.43) BRAFCREBBPBRD4RHOANPC1
SCHEMBL17778675 0.87 DYRK1A (0.36) WNT3AWNT1GSK3BDYRK1A
SCHEMBL17618849 0.87 BRAF (0.41) BRAFCREBBPBRD4RHOANPC1

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 BRAF 2804/4885CREBBP 419/4885BRD4 194/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BRAF 3419/4885CREBBP 528/4885BRD4 180/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 BRAF 3419/4885CREBBP 528/4885BRD4 180/4885

“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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