SCHEMBL17618785

SCHEMBL17618785

O=C(NCCCc1ccncc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.40
▸ EPHB4 P54760 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ IDH2 P48735 3/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CTSK P43235 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL17618790 0.95 CHRM4 (0.41) CHRM4EPHB4TSHRKMT2AELANE
SCHEMBL17618776 0.94 ASAH1 (0.40) CHRM4TSHRKMT2AIDH2CTSK
SCHEMBL17618823 0.92 KMT2A (0.43) CHRM4EPHB4TSHRKMT2AKDM4E
SCHEMBL17618777 0.92 ASAH1 (0.42) CHRM4TSHRKMT2AIDH2
SCHEMBL16238924 0.89 TP53 (0.42) CHRM4TSHRKMT2AIDH2
SCHEMBL19689730 0.89 ITGB2 (0.42) TSHRKMT2AIDH2RPS6KB1CTSK
SCHEMBL19699710 0.89 ITGB2 (0.42) TSHRKMT2AIDH2RPS6KB1CTSK
SCHEMBL17618822 0.88 LPL (0.43) CHRM4CTSKKCNH2
SCHEMBL19346988 0.88 CASP6 (0.41) TSHRKMT2AIDH2NAMPTITGB3
SCHEMBL19346987 0.88 CASP6 (0.41) TSHRKMT2AIDH2NAMPTITGB3

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 CHRM4 4629/4885EPHB4 4850/4885TSHR 2703/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM4 4421/4885EPHB4 4864/4885TSHR 3064/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CHRM4 4421/4885EPHB4 4864/4885TSHR 3064/4885

“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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