SCHEMBL23910090

SCHEMBL23910090

N#Cc1cc(N)ccc1-c1ccnc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.47
WNT3A P56704 3/20 0.43
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
DYRK1A Q13627 2/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP11B2 P19099 1/20 0.37
NFATC1 O95644 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2183458 0.82 WNT3A (0.47) WNT3AAAK1DYRK1AGSK3BKDM4E
SCHEMBL12302782 0.82 WNT3A (0.43) ADORA2BWNT3AALOX5APFEN1AAK1
SCHEMBL23910018 0.81 CYP3A4 (0.47) ALOX5APFEN1AAK1PARP10PARP11
SCHEMBL23909979 0.81 AAK1 (0.44) ALOX5APFEN1AAK1DYRK1AGSK3B
SCHEMBL23212160 0.80 ALOX5AP (0.49) WNT3AALOX5APFEN1DYRK1AGSK3B
SCHEMBL8111393 0.79 KDM4E (0.45) GSK3BKDM4EALDH1A1USP2MAPT
SCHEMBL20329372 0.78 MTOR (0.45) WNT3AALOX5APFEN1AAK1DYRK1A
SCHEMBL20329371 0.78 AAK1 (0.49) AAK1DYRK1AGSK3BKDM4EALDH1A1
SCHEMBL23012421 0.78 ADORA2B (0.43) ADORA2BWNT3AALOX5APFEN1AAK1
SCHEMBL29691432 0.78 ADORA2B (0.43) ADORA2BWNT3AALOX5APFEN1AAK1

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 2 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

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 ADORA2B 1323/4885WNT3A 2879/4885ALOX5AP 419/4885

“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.