SCHEMBL16775764

SCHEMBL16775764

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)[C@H]2CCN3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.44
▸ BRAF P15056 1/20 0.43
▸ CREBBP Q92793 3/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ RHOA P61586 2/20 0.40
▸ IMPDH1 P20839 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LIMK2 P53671 1/20 0.37

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
SCHEMBL16775784 1.00 IMPDH2 (0.44) IMPDH2BRAFCREBBPBRD4RHOA
SCHEMBL17618330 0.95 IMPDH2 (0.45) IMPDH2BRAFCREBBPBRD4RHOA
SCHEMBL17618694 0.91 BRAF (0.41) IMPDH2BRAFCREBBPBRD4RHOA
SCHEMBL17618598 0.91 RHOA (0.43) BRAFCREBBPBRD4RHOACASR
SCHEMBL16249980 0.91 RHOA (0.43) BRAFCREBBPBRD4RHOACASR
SCHEMBL19365359 0.91 RHOA (0.43) BRAFCREBBPBRD4RHOACASR
SCHEMBL17618849 0.90 BRAF (0.41) IMPDH2BRAFCREBBPBRD4RHOA
SCHEMBL17618491 0.89 RHOA (0.41) BRAFCREBBPBRD4RHOACASR
SCHEMBL16775779 0.89 CREBBP (0.43) IMPDH2BRAFCREBBPBRD4RHOA
SCHEMBL16775765 0.89 RHOA (0.44) IMPDH2BRAFCREBBPBRD4RHOA

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-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-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 (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 IMPDH2 1350/4885BRAF 2804/4885CREBBP 419/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1200/4885BRAF 3419/4885CREBBP 528/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1350/4885BRAF 2804/4885CREBBP 419/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1200/4885BRAF 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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