SCHEMBL16775780

SCHEMBL16775780

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)n2)C2CCN3CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 6/20 0.37
▸ BRAF P15056 1/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ KARS1 Q15046 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ RHOA P61586 1/20 0.33

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
SCHEMBL16776300 0.91 KARS1 (0.34) IMPDH2BRAFHTR1AWNT1GSK3B
SCHEMBL19699090 0.89 DYRK1A (0.42) IMPDH2BRAFWNT1GSK3BDYRK1A
SCHEMBL16249976 0.89 RHOA (0.39) BRAFHTR1AWNT1GSK3BDYRK1A
SCHEMBL17618330 0.88 IMPDH2 (0.45) IMPDH2BRAFBRD4CREBBPIMPDH1
SCHEMBL17618851 0.85 KIF18A (0.36) IMPDH2BRAFHTR1AWNT1GSK3B
SCHEMBL17618769 0.84 RHOA (0.40) BRAFHTR1AGSK3BDYRK1ARHOA
SCHEMBL16775779 0.84 CREBBP (0.43) IMPDH2BRAFWNT1GSK3BDYRK1A
SCHEMBL16775764 0.84 IMPDH2 (0.44) IMPDH2BRAFBRD4CREBBPIMPDH1
SCHEMBL16775784 0.84 IMPDH2 (0.44) IMPDH2BRAFBRD4CREBBPIMPDH1
SCHEMBL17618866 0.82 HTR1A (0.34) BRAFHTR1AWNT1GSK3BDYRK1A

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 2804/4885HTR1A 4635/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1200/4885BRAF 3419/4885HTR1A 4632/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1350/4885BRAF 2804/4885HTR1A 4635/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IMPDH2 1200/4885BRAF 3419/4885HTR1A 4632/4885

“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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