SCHEMBL17618402

SCHEMBL17618402

O=C(Nc1ccnc(OC[C@H](O)CO)c1)N1c2nc(-c3cccc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 3/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ RAF1 P04049 4/20 0.32
▸ CALCRL Q16602 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ MAPK3 P27361 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL17618396 0.92 RAF1 (0.38) PDE4APDE4BPDE4CPDE4DRAF1
SCHEMBL16754554 0.91 RAF1 (0.39) TRPV1RAF1CCNA2CDK2MAPK3
SCHEMBL16754556 0.91 RAF1 (0.39) TRPV1RAF1CCNA2CDK2MAPK3
SCHEMBL16754555 0.91 RAF1 (0.39) TRPV1RAF1CCNA2CDK2MAPK3
SCHEMBL17777128 0.91 RAF1 (0.39) TRPV1RAF1CCNA2CDK2MAPK3
SCHEMBL19689728 0.89 RAF1 (0.37) WNT3ARAF1
SCHEMBL19706676 0.89 RAF1 (0.37) WNT3ARAF1
SCHEMBL19689727 0.89 RAF1 (0.37) WNT3ARAF1
SCHEMBL17618397 0.87 HPGDS (0.34) WNT3AHPGDSEGFRPDE4APDE4B
SCHEMBL17618395 0.86 TSHR (0.36) WNT3AHPGDSEGFRPDE4APDE4B

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 WNT3A 4128/4885HPGDS 1307/4885EGFR 3708/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4291/4885HPGDS 1358/4885EGFR 3224/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 WNT3A 4291/4885HPGDS 1358/4885EGFR 3224/4885

“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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