SCHEMBL16775779

SCHEMBL16775779

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)C2CCN3CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ BRAF P15056 3/20 0.43
▸ IMPDH2 P12268 4/20 0.40
▸ RHOA P61586 1/20 0.39
▸ LIMK2 P53671 1/20 0.37
▸ CASR P41180 1/20 0.37
▸ NCF1 P14598 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IMPDH1 P20839 1/20 0.35
▸ EDNRA P25101 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
SCHEMBL17618330 0.94 IMPDH2 (0.45) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL16249978 0.91 CREBBP (0.42) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL17618770 0.91 CREBBP (0.42) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL16775764 0.89 IMPDH2 (0.44) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL16775784 0.89 IMPDH2 (0.44) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL16776225 0.88 CREBBP (0.43) CREBBPBRD4BRAFRHOACASR
SCHEMBL17624410 0.88 CREBBP (0.43) CREBBPBRD4BRAFRHOALIMK2
SCHEMBL17618855 0.86 CCR3 (0.41) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL16775763 0.86 CREBBP (0.44) CREBBPBRD4BRAFIMPDH2RHOA
SCHEMBL16249975 0.85 RHOA (0.48) CREBBPBRD4BRAFRHOACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 CREBBP 419/4885BRD4 194/4885BRAF 2804/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885BRAF 3419/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885BRD4 180/4885BRAF 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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