SCHEMBL20329631

SCHEMBL20329631

COc1cncc(-c2ccc(N)cc2-c2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.41
CYP11B2 P19099 9/20 0.41
CYP17A1 P05093 2/20 0.41
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
RET P07949 2/20 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
SCHEMBL21071957 0.87 CYP11B1 (0.39) CYP11B1CYP11B2PIM1PIM3PIM2
SCHEMBL20329237 0.85 MAPT (0.44) CYP3A4GAAMAPTRET
SCHEMBL21071532 0.82 CYP11B1 (0.41) CYP11B1CYP11B2CYP17A1PIM1PIM3
SCHEMBL31357013 0.80 CYP1A1 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4CYP1A2
SCHEMBL23916477 0.79 KDM1A (0.40) GAAMAPT
SCHEMBL23916396 0.79 PIK3CG (0.39) CYP11B2PRMT5WDR77
SCHEMBL20329236 0.78 KCNH2 (0.41) MKNK1MKNK2
SCHEMBL20329401 0.78 KDM4E (0.49) GAAMAPT
SCHEMBL20329381 0.78 ALDH1A1 (0.37) CYP3A4CYP1A2CYP2C9GAAMAPT
SCHEMBL14217428 0.77 ALDH1A1 (0.34) CYP3A4GAAMAPT

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 4 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-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 CYP11B1 143/4885CYP11B2 79/4885CYP17A1 546/4885
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 CYP11B1 497/4885CYP11B2 370/4885CYP17A1 980/4885

“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.