SCHEMBL18016459

SCHEMBL18016459

CC(C)(C)c1cn(CC#N)nn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
DPP4 P27487 1/20 0.39
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
SMPD1 P17405 4/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19959380 0.81 HRH4 (0.42) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12432229 0.76 HRH4 (0.46) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18377920 0.75
SCHEMBL9889133 0.75 HRH4 (0.45) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18367572 0.75 HRH4 (0.45) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL15021401 0.74 CTSS (0.56) CTSLCTSSSMPD1
SCHEMBL12247028 0.73 HRH4 (0.59) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12247032 0.73 HRH4 (0.59) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18367584 0.73 HRH4 (0.44) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12392028 0.73 HRH4 (0.51) HRH4HRH3DPP4GABRA2GABRB2

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 8 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-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 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 HRH4 2806/4885HRH3 2884/4885CTSL 2989/4885
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 HRH4 843/4885HRH3 450/4885CTSL 3396/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885CTSL 2989/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A HRH4 1013/4885HRH3 572/4885CTSL 3452/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885CTSL 2989/4885

“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.