SCHEMBL17618393

SCHEMBL17618393

Cc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SORT1 Q99523 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL17778806 0.91 MEN1 (0.43) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL17624646 0.91 CA2 (0.42) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL17618783 0.90 MEN1 (0.47) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL19670120 0.90 SCN10A (0.43) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL17618906 0.90 CA2 (0.42) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL17618902 0.90 CA2 (0.42) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL16754671 0.89 HRH3 (0.38) KDM4EHSD17B10ALDH1A1SORT1
SCHEMBL17624497 0.88 KMT2A (0.44) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL17618816 0.88 CYP1A2 (0.48) KMT2AMEN1TSHRKDM4EUSP2
SCHEMBL17618348 0.88 IDH2 (0.45) KMT2AMEN1LMNAHTTSMN1; SMN2

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 1287/4885MEN1 3505/4885TSHR 2703/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885TSHR 3064/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885TSHR 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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