SCHEMBL19732433

SCHEMBL19732433

CC(C)c1cn(C2CCN(C(=O)OCc3ccccc3)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
EGFR P00533 1/20 0.49
GRIN2B Q13224 10/20 0.48
KDM5C P41229 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48
HTT P42858 1/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 3/20 0.46

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
SCHEMBL28497447 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19EGFR
SCHEMBL19732305 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18379297 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19726578 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18368416 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18375758 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18378757 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL22702107 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18378724 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18694201 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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-10577352-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2020-03-03 US disclosed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20190016705-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2019-01-17 US disclosed
US-20180002316-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2018-01-04 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 (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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885
US-10577352-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885
US-20180002316-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885
US-20190016705-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885

“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.