SCHEMBL323908

SCHEMBL323908

N#Cc1ccc(-n2nnnc2CO)cc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
PRMT1 Q99873 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
GAA P10253 1/20 0.35
CHRM5 P08912 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
KCNN4 O15554 2/20 0.34
LMNA P02545 1/20 0.34
SCN9A Q15858 1/20 0.33
PTGES O14684 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
GRM2 Q14416 2/20 0.32
PTGS2 P35354 1/20 0.32
CHRM4 P08173 1/20 0.32
USP14 P54578 1/20 0.32

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
SCHEMBL324088 0.88 ALDH1A1 (0.45) NOTUMPRMT1CHRM2CHRM1CHRM5
SCHEMBL325636 0.86 CHRM2 (0.37) PRMT1CHRM2CHRM1GAACHRM5
SCHEMBL324875 0.82 AR (0.45) NOTUMPTGESAR
SCHEMBL15168965 0.80 NOTUM (0.40) NOTUMLMNASCN9AAR
SCHEMBL15169138 0.76 WNT3A (0.35) CHRM2CHRM1CHRM5KCNJ1KCNH2
SCHEMBL15169139 0.76 WNT3A (0.35) CHRM2CHRM1CHRM5KCNJ1KCNH2
SCHEMBL5820008 0.75 GRM2 (0.38) NOTUMCHRM2CHRM1LMNAPTGES
SCHEMBL7656918 0.71 AR (0.51) CHRM2CHRM1KCNJ1KCNH2AR
SCHEMBL323458 0.71 NOTUM (0.51) NOTUMGAALMNAPTGS2
SCHEMBL10238837 0.70 AR (0.46) PTGESAR

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 16 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 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
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 NOTUM 3834/4885PRMT1 4720/4885CHRM2 691/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 NOTUM 3834/4885PRMT1 4720/4885CHRM2 691/4885

“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.