SCHEMBL17618808

SCHEMBL17618808

CCc1nnc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL17624557 0.89 LMNA (0.37) KMT2AALDH1A1MEN1HPGDLMNA
SCHEMBL17618811 0.89 TSHR (0.40) KMT2AALDH1A1MEN1HSD17B10TDP1
SCHEMBL17618797 0.89 USP2 (0.39) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL17618860 0.87 MAPK10 (0.38) KMT2AALDH1A1MEN1HSD17B10HPGD
SCHEMBL16238261 0.86 KMT2A (0.39) KMT2AALDH1A1MEN1MAPTTSHR
SCHEMBL17618379 0.85 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HSD17B10LMNA
SCHEMBL17618497 0.85 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HSD17B10LMNA
SCHEMBL17618805 0.85 SCN9A (0.38) KMT2AALDH1A1MEN1
SCHEMBL17618810 0.85 KMT2A (0.40) KMT2AALDH1A1MEN1HSD17B10HPGD
SCHEMBL19689756 0.84 KMT2A (0.41) KMT2AALDH1A1MEN1TSHR

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 KMT2A 1287/4885ALDH1A1 1910/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885ALDH1A1 1726/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885ALDH1A1 1726/4885MEN1 3676/4885

“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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