SCHEMBL16775808

SCHEMBL16775808

Cc1nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3C[C@@H](C)[C@H]2C3)sc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ ADORA2A P29274 3/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ KMO O15229 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HPGD P15428 1/20 0.33

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 0.92 KDM1A (0.38) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL19706029 0.89 ALDH1A1 (0.37) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL16238797 0.87 ADORA2A (0.34) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL19670165 0.87 ADORA2A (0.34) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL17618497 0.86 ALDH1A1 (0.39) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL17618379 0.86 ALDH1A1 (0.39) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL16775975 0.86 ALDH1A1 (0.40) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1
SCHEMBL17618366 0.85 IDH2 (0.38) KDM1AALDH1A1SMN1; SMN2MAPTUCHL1
SCHEMBL17618431 0.84 CA2 (0.40) KDM1AMAPTCNR2CNR1FYN
SCHEMBL19670243 0.83 KDM1A (0.38) KDM1AALDH1A1SMN1; SMN2MAPTCRHR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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 KDM1A 891/4885ALDH1A1 1910/4885SMN1; SMN2 2211/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 859/4885ALDH1A1 1726/4885SMN1; SMN2 2122/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 891/4885ALDH1A1 1910/4885SMN1; SMN2 2211/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 859/4885ALDH1A1 1726/4885SMN1; SMN2 2122/4885

“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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