SCHEMBL19732400

SCHEMBL19732400

CC(C)c1cn(CC(=O)N2CCOCC2)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
FKBP1A P62942 3/20 0.44
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL18377855 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1USP2NPC1RAB9A
SCHEMBL18367617 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1USP2NPC1RAB9A
SCHEMBL4961669 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1USP2NPC1RAB9A
SCHEMBL10203210 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL13242529 0.76 FLT3 (0.46) SMN1; SMN2ALDH1A1KDM4EIRAK4
SCHEMBL20438069 0.74 NTRK1 (0.36) KMT2ATSHRMEN1
SCHEMBL16171674 0.73 NTRK1 (0.38) KMT2ATSHRMEN1
SCHEMBL13103451 0.70 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL12171704 0.69 KMT2A (0.49) SMN1; SMN2ALDH1A1RAB9APOLBKMT2A
SCHEMBL4751928 0.69 MAPK1 (0.45) ALDH1A1HSD17B10KMT2AIRAK4TSHR

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-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS SMN1; SMN2 4716/4885ALDH1A1 2149/4885USP2 2038/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS SMN1; SMN2 4716/4885ALDH1A1 2149/4885USP2 2038/4885

“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.