SCHEMBL15701252

SCHEMBL15701252

COc1cc(NC(=O)C(C)c2cccc(Cl)c2)cc2sc(NC(=O)c3cscn3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
ACP1 P24666 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TMIGD3 P0DMS9 1/20 0.40
ADORA1 P30542 1/20 0.40
NTRK1 P04629 1/20 0.39
DUSP3 P51452 3/20 0.39
CHRM4 P08173 1/20 0.39
DYRK1A Q13627 1/20 0.39
DCLK1 O15075 1/20 0.39
FES P07332 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
MAP4K2 Q12851 1/20 0.39
NTRK3 Q16288 1/20 0.39
HIPK4 Q8NE63 1/20 0.39

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
SCHEMBL15701125 0.97 GRM4 (0.44) GRM4ACP1ALDH1A1MAPTTMIGD3
SCHEMBL15701248 0.89 NPC1 (0.45) GRM4ACP1ALDH1A1MAPTKMT2A
SCHEMBL15701040 0.89 CYP2C9 (0.45) GRM4ACP1ALDH1A1MAPTTMIGD3
SCHEMBL15701112 0.86 CYP2C9 (0.47) GRM4ACP1ALDH1A1MAPTIRAK1
SCHEMBL15701165 0.84 ACP1 (0.46) ACP1ALDH1A1MAPTNTRK1DYRK1A
SCHEMBL15701026 0.81 RAB9A (0.48) ACP1ALDH1A1MAPTNTRK1DYRK1A
SCHEMBL15701249 0.78 CYP2C9 (0.47) GRM4ALDH1A1MAPTKMT2ANPC1
SCHEMBL15701100 0.76 NTRK1 (0.55) GRM4MAPTNTRK1DYRK1ADCLK1
SCHEMBL19446717 0.76 RAB9A (0.52) ACP1ALDH1A1MAPTKMT2ANPC1
SCHEMBL15701057 0.76 CASP3 (0.45) ALDH1A1MAPTNTRK1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 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 (1 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 GRM4 4020/4885ACP1 3860/4885ALDH1A1 2565/4885

“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.