SCHEMBL16775778

SCHEMBL16775778

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc4nc(C)cnc24)[C@H]2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMPD3 Q9NY59 3/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ GRIN2B Q13224 3/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CHRM3 P20309 2/20 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
SCHEMBL16250013 0.90 KDM1A (0.39) USP2SMPD3GRIN2BTSHRKDM4E
SCHEMBL19699695 0.84 TRPV1 (0.39) SMPD3SMOHSD17B10TRPV1
SCHEMBL16754371 0.84 TRPV1 (0.39) SMPD3SMOHSD17B10TRPV1
SCHEMBL16775782 0.83 GRM5 (0.39) EGFRUSP2CA9
SCHEMBL19365347 0.82 BTK (0.36) TRPV1
SCHEMBL19699039 0.81 HTR2C (0.46) USP2ALDH1A1
SCHEMBL16775767 0.81 SYK (0.36) EGFRGRIN2BTRPV1CHRM3
SCHEMBL19669059 0.80 USP2 (0.40) USP2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL19699058 0.80 USP2 (0.35) USP2TSHRCA9CHRM3
SCHEMBL19669061 0.80 LIMK2 (0.36) USP2TSHRCA9

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 EGFR 3708/4885USP2 183/4885SMPD3 3282/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGFR 3224/4885USP2 218/4885SMPD3 2829/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGFR 3708/4885USP2 183/4885SMPD3 3282/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGFR 3224/4885USP2 218/4885SMPD3 2829/4885

“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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