SCHEMBL16489245

SCHEMBL16489245

COc1ncccc1C(=N)Nc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
GRM4 Q14833 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GPR6 P46095 1/20 0.39
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL16489229 0.90 ALDH1A1 (0.46) KMT2AGRM4MEN1ALDH1A1GAA
SCHEMBL16489211 0.90 GRM4 (0.55) KMT2AGRM4ALDH1A1GAAMAPT
SCHEMBL16489220 0.89 GRM4 (0.40) KMT2AGRM4MEN1ALDH1A1GAA
SCHEMBL16489241 0.89 MAPT (0.46) KMT2AGRM4MEN1ALDH1A1TP53
SCHEMBL16489224 0.89 GRM4 (0.41) KMT2AGRM4MEN1ALDH1A1MAPT
SCHEMBL16489209 0.88 NPC1 (0.52) KMT2AALDH1A1LMNANPC1TSHR
SCHEMBL16491917 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL16491926 0.83 NPC1 (0.54) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL16489215 0.81 MAPT (0.45) KMT2AMEN1MAPTGPR6L3MBTL1
SCHEMBL16489214 0.80 SMN1; SMN2 (0.41) KMT2AALDH1A1TP53GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2020-05-19 US disclosed
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 US disclosed
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 US disclosed
US-9974775-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 US disclosed
US-9974775-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 US disclosed
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-10-27 US disclosed
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-10-27 US disclosed
US-9453002-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 US disclosed
US-9453002-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 US disclosed
US-20150051225-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20150051225-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 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 (4 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-20150051225-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885GRM4 472/4885MEN1 660/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885GRM4 472/4885MEN1 660/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885GRM4 472/4885MEN1 660/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885GRM4 472/4885MEN1 660/4885

“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.