SCHEMBL19699540

SCHEMBL19699540

CC(C)C(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
BRAF P15056 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDR P35968 1/20 0.34
BRD4 O60885 3/20 0.34
NOS1 P29475 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR4 P22455 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
SCHEMBL29184339 0.87 SPHK1 (0.36) SMN1; SMN2BRAFNPC1RAB9ABRD4
SCHEMBL536914 0.82 BRAF (0.47) SMN1; SMN2TSHRCDK2BRAFNPC1
SCHEMBL29654971 0.80 BRD4 (0.40) SMN1; SMN2TSHRBRAFNPC1RAB9A
SCHEMBL22118770 0.80 BRD4 (0.40) SMN1; SMN2TSHRBRAFNPC1RAB9A
SCHEMBL5437606 0.80 MKNK1 (0.38) SMN1; SMN2BRAFNPC1RAB9ABRD4
SCHEMBL17372558 0.79 NPC1 (0.35) SMN1; SMN2BRAFNPC1RAB9A
SCHEMBL17372562 0.79 NPC1 (0.35) SMN1; SMN2BRAFNPC1RAB9A
SCHEMBL8884122 0.78 L3MBTL1 (0.38) SMN1; SMN2BRAFALDH1A1NPC1RAB9A
SCHEMBL17778780 0.78 XDH (0.42) SMN1; SMN2TSHRBRAFMAPTALDH1A1
Hydrochloric Acid SCHEMBL3413075 0.77 CHEK1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597421-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2020-03-24 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2018-07-05 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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 (5 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2322/4885SMN1; SMN2 2016/4885TSHR 2418/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885SMN1; SMN2 1917/4885TSHR 2548/4885
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, RNGTT, RNMT GSK3B 4785/4885SMN1; SMN2 105/4885TSHR 3650/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885SMN1; SMN2 1917/4885TSHR 2548/4885
US-10597421-B2 Protected monomer and method of final deprotection for RNA synthesis NSUN2, RNGTT, RNMT GSK3B 4785/4885SMN1; SMN2 105/4885TSHR 3650/4885

“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.