SCHEMBL20329632

SCHEMBL20329632

COc1ccc(-c2ccc(N)cc2-c2nnn[nH]2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
PTGS1 P23219 3/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PDE7A Q13946 1/20 0.35
FYN P06241 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
SCHEMBL20329401 0.89 KDM4E (0.49) ADORA1MEN1KMT2AKDM4EHSD17B10
SCHEMBL20329240 0.87 KDM4E (0.39) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL20329857 0.86 KIT (0.43) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL23915988 0.83 CTSS (0.36) KDM4EPOLBHSD17B10
SCHEMBL20329379 0.83 KDM4E (0.51) MEN1KMT2AKDM4EHSD17B10
SCHEMBL20329237 0.81 MAPT (0.44) MEN1KMT2AKDM4EPOLBHSD17B10
SCHEMBL21136103 0.81 GAA (0.39) MEN1KMT2AKDM4EHSD17B10FYN
SCHEMBL23915990 0.81 KDM4E (0.36) KDM4EPOLBHSD17B10FYN
SCHEMBL20329236 0.77 KCNH2 (0.41) FYN
SCHEMBL20329239 0.77 DYRK1A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 US disclosed
WO-2018114783-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 PTGS2 173/4885PTGS1 105/4885ADORA2A 2795/4885
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 PTGS2 807/4885PTGS1 514/4885ADORA2A 1806/4885

“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.