SCHEMBL21136103

SCHEMBL21136103

COCc1ccc(-c2ccc(N)cc2-c2nnn[nH]2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.36
FAAH O00519 1/20 0.35
CHEK1 O14757 3/20 0.34
HSD17B10 Q99714 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KIT P10721 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
DHFR P00374 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL20329382 0.88
SCHEMBL20329401 0.86 KDM4E (0.49) GAAMAPTKDM4ECHEK1HSD17B10
SCHEMBL20329633 0.82 CHEK1 (0.31) CHEK1CYP11B1CYP11B2
SCHEMBL20329379 0.82 KDM4E (0.51) GAAMAPTTSHRMAPK1KDM4E
SCHEMBL20329240 0.81 KDM4E (0.39) MAPTKDM4ECHEK1HSD17B10KIT
SCHEMBL23916415 0.81 PIK3CD (0.41) MAPTKITFYNCYP11B1CYP11B2
SCHEMBL20329632 0.81 PTGS2 (0.42) KDM4EHSD17B10MEN1KMT2AFYN
SCHEMBL20329857 0.81 KIT (0.43) KDM4EHSD17B10CD274KITMEN1
SCHEMBL23915990 0.80 KDM4E (0.36) GAATSHRKDM4ECHEK1HSD17B10
SCHEMBL20329237 0.78 MAPT (0.44) GAAMAPTMAPK1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 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 (1 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-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 GAA 523/4885MAPT 107/4885TSHR 2555/4885

“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.