SCHEMBL20169405

SCHEMBL20169405

COc1ccccc1C(N)Nc1ccc(C)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
JAK2 O60674 1/20 0.37
PTK2 Q05397 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL20260870 0.85 IDO1 (0.41) CA1CA2ACHEALDH1A1MAPT
SCHEMBL25786455 0.84 CA1 (0.44) SLC6A2SLC6A4SLC6A3JAK2PTK2
SCHEMBL22169201 0.79 IDO1 (0.46) CA1CA2ACHEALDH1A1MAPT
SCHEMBL20261098 0.78 ALDH1A1 (0.50) CA1CA2ACHEALDH1A1MAPT
SCHEMBL20261118 0.78 CA1 (0.41) CA1CA2ACHEALDH1A1MAPT
SCHEMBL20261094 0.75 KDM4E (0.51) ALDH1A1MAPTL3MBTL1MEN1POLB
SCHEMBL20261088 0.70 PIK3CA (0.42) SLC6A2SLC6A4SLC6A3MAPTMEN1
SCHEMBL20260903 0.69 VDR (0.42) SLC6A2SLC6A4SLC6A3MAPTMAPK1
SCHEMBL20261086 0.69 L3MBTL1 (0.39) SLC6A2CA1CA2ALDH1A1MAPT
SCHEMBL12697206 0.68 TDP1 (0.43) ALOX12ALDH1A1MAPTL3MBTL1ATM

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S SLC6A2 540/4885SLC6A4 551/4885SLC6A3 684/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S SLC6A2 540/4885SLC6A4 551/4885SLC6A3 684/4885

“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.