SCHEMBL16489237

SCHEMBL16489237

COc1cnccc1C(=N)Nc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDGFRA P16234 1/20 0.40
KDR P35968 1/20 0.40
GRM4 Q14833 1/20 0.40
NAMPT P43490 1/20 0.40
CSF1R P07333 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL16491933 0.89 NPC1 (0.44) MEN1KMT2AMAPTALDH1A1STIM1
SCHEMBL16489232 0.89 MAPT (0.48) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL16491916 0.85 L3MBTL1 (0.53) MEN1KMT2AMAPTALDH1A1STIM1
SCHEMBL16489223 0.81 KMT2A (0.58) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL16489210 0.79 NPC1 (0.41) MEN1KMT2AMAPTALDH1A1STIM1
SCHEMBL18176627 0.79 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16489207 0.76 CSF1R (0.40) MAPTALDH1A1STIM1ORAI1SMN1; SMN2
SCHEMBL16489245 0.74 KMT2A (0.44) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL16491929 0.74 MEN1 (0.44) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL16491923 0.72 KCNMA1 (0.50) MEN1KMT2AMAPTALDH1A1HTR2A

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 MEN1 660/4885KMT2A 3077/4885MAPT 1070/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S MEN1 660/4885KMT2A 3077/4885MAPT 1070/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S MEN1 660/4885KMT2A 3077/4885MAPT 1070/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S MEN1 660/4885KMT2A 3077/4885MAPT 1070/4885

“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.