SCHEMBL17618860

SCHEMBL17618860

O=C(Nc1nnc(-c2ccncc2)s1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 4/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ BLM P54132 4/20 0.38
▸ GPR65 Q8IYL9 1/20 0.38
▸ IDE P14735 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ WRN Q14191 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ USP2 O75604 1/20 0.36
▸ USP8 P40818 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ LMNA P02545 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
SCHEMBL17618797 0.95 USP2 (0.39) KDM4EUSP2USP8HPGDSMN1; SMN2
SCHEMBL17618810 0.93 KMT2A (0.40) BLMKDM4EUSP2USP8HPGD
SCHEMBL17624557 0.89 LMNA (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1IDH2
SCHEMBL17618902 0.88 CA2 (0.42) KDM4EUSP2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17618906 0.88 CA2 (0.42) KDM4EUSP2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17618811 0.87 TSHR (0.40) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17618808 0.87 KMT2A (0.47) GPR65MAPK1KDM4EUSP2HPGD
SCHEMBL19670573 0.86 MAPK10 (0.39) MAPK10MAPK8BLMGPR65IDE
SCHEMBL17618805 0.85 SCN9A (0.38) ALDH1A1IDH2KMT2AMEN1
SCHEMBL17618415 0.84 USP2 (0.41) KDM4EUSP2USP8SMN1; SMN2ALDH1A1

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 MAPK10 1776/4885MAPK8 1649/4885BLM 2450/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK10 2305/4885MAPK8 2179/4885BLM 2602/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPK10 2305/4885MAPK8 2179/4885BLM 2602/4885

“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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