SCHEMBL19706029

SCHEMBL19706029

Cc1nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@@H](O)[C@H]2C3)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CRHR1 P34998 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ FYN P06241 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL16238271 0.93 KDM1A (0.38) ALDH1A1KMT2AMEN1MAPTCRHR1
SCHEMBL17618379 0.90 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTCRHR1
SCHEMBL17618497 0.90 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTCRHR1
SCHEMBL16775808 0.89 KDM1A (0.38) ALDH1A1KMT2AMEN1MAPTCRHR1
SCHEMBL16775975 0.88 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTCRHR1
SCHEMBL17618366 0.87 IDH2 (0.38) ALDH1A1KMT2AMEN1MAPTKDM1A
SCHEMBL16238797 0.83 ADORA2A (0.34) ALDH1A1KMT2AMAPTCRHR1KDM1A
SCHEMBL19670165 0.83 ADORA2A (0.34) ALDH1A1KMT2AMAPTCRHR1KDM1A
SCHEMBL17618841 0.83 PIK3CD (0.35) CRHR1
SCHEMBL19670243 0.82 KDM1A (0.38) ALDH1A1KMT2AMEN1MAPTCRHR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885KMT2A 1438/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885KMT2A 1438/4885MEN1 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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