SCHEMBL10154754

SCHEMBL10154754

CC(C)[C@@H](C)Nc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.41
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CSF1R P07333 1/20 0.37
LTK P29376 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CDK5 Q00535 1/20 0.37
PTK2 Q05397 1/20 0.37
CAMK1D Q8IU85 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALK Q9UM73 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NR4A2 P43354 1/20 0.37
PLK1 P53350 2/20 0.36
FFAR2 O15552 1/20 0.36

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
SCHEMBL13736558 1.00 IDH1 (0.41) IDH1CYP2C19ALDH1A1CSF1RLTK
SCHEMBL10125355 0.80 CYP2C19 (0.39) CYP2C19ALDH1A1CDK5NR4A2PLK1
Isaxonine SCHEMBL1270289 0.79 KCNH3 (0.43) CYP2C19ALDH1A1CSF1RMAPK8CDK7
SCHEMBL1905978 0.75 CYP2C19 (0.39) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL146979 0.75 CYP2C19 (0.39) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL8909450 0.75 FFAR2 (0.37) CYP2C19ALDH1A1PLK1FFAR2LMNA
SCHEMBL24568177 0.75 HDAC6 (0.40) IDH1CSF1RLTKMAPK8MAPK9
SCHEMBL6362140 0.74 IDH1 (0.33) IDH1CSF1RLTKMAPK8MAPK9
SCHEMBL13154005 0.73 CDK2 (0.38) CYP2C19ALDH1A1CDK7CDK5FFAR2
SCHEMBL8916970 0.73 CDK2 (0.38) CYP2C19ALDH1A1CDK7CDK5FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
WO-2013052369-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 IDH1 119/4885CYP2C19 180/4885ALDH1A1 201/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 IDH1 119/4885CYP2C19 180/4885ALDH1A1 201/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 IDH1 119/4885CYP2C19 180/4885ALDH1A1 201/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 IDH1 204/4885CYP2C19 210/4885ALDH1A1 250/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 IDH1 119/4885CYP2C19 180/4885ALDH1A1 201/4885

“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.