SCHEMBL16491925

SCHEMBL16491925

COc1cccnc1C(=N)Nc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
GPR6 P46095 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
IDO1 P14902 1/20 0.39
HPGDS O60760 1/20 0.39
MCL1 Q07820 1/20 0.39
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
DUSP3 P51452 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GRM5 P41594 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL16491924 0.83 SMN1; SMN2 (0.48) ATMKMT2AMEN1MAPTALDH1A1
SCHEMBL19902735 0.80 EGLN1 (0.46) ATMEGLN1KMT2AMEN1GAA
SCHEMBL16489218 0.80 ATM (0.46) ATMGPR6EGLN1KMT2AGAA
SCHEMBL16469273 0.79 L3MBTL1 (0.46) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6451038 0.74 PLAU (0.42) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL16489206 0.74 GRM4 (0.46) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16489227 0.74 GRM4 (0.48) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL19902747 0.72 ATM (0.46) ATMEGLN1KMT2AGAAALDH1A1
SCHEMBL20261095 0.69 KDM4E (0.39) KMT2AMEN1KDM4EHPGDSMCL1
SCHEMBL2140701 0.69 SLC22A12 (0.48) KMT2AMEN1ALDH1A1KDM4EHPGDS

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 6 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-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-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

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 ATM 3095/4885GPR6 764/4885EGLN1 3221/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S ATM 3095/4885GPR6 764/4885EGLN1 3221/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S ATM 3095/4885GPR6 764/4885EGLN1 3221/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S ATM 3095/4885GPR6 764/4885EGLN1 3221/4885

“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.