SCHEMBL327126

SCHEMBL327126

N#Cc1ccc(-n2nnnc2CN2CCC(F)(F)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
PRMT1 Q99873 1/20 0.40
MAPKAPK2 P49137 1/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 1/20 0.37
CYP2D6 P10635 3/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
NOTUM Q6P988 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
SCHEMBL10239274 0.84 CYP1A2 (0.62) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL15183957 0.83 CYP1A2 (0.45) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL325606 0.82 CYP1A2 (0.44) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL10238861 0.81 ALDH1A1 (0.60) CYP1A2CYP2C19ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL15169209 0.80 ALDH1A1 (0.58) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL15179458 0.78 ALDH1A1 (0.51) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL15179477 0.78 PRMT1 (0.51) CYP1A2CYP2C19ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL15168981 0.77 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL323994 0.77 ALDH1A1 (0.50) CYP1A2CYP2C19ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL324764 0.77 PRMT1 (0.50) CYP1A2CYP2C19ALDH1A1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US claimed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US claimed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP claimed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 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 (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-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 CYP1A2 654/4885CYP2C19 1661/4885ALDH1A1 2584/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 CYP1A2 654/4885CYP2C19 1661/4885ALDH1A1 2584/4885

“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.