SCHEMBL23910018

SCHEMBL23910018

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
TIPARP Q7Z3E1 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA3 P34903 3/20 0.40
MAP4K4 O95819 1/20 0.40
NOTUM Q6P988 1/20 0.40
IDO1 P14902 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL23910090 0.81 ADORA2B (0.47) CYP3A4AAK1ALOX5APFEN1PARP10
SCHEMBL21071606 0.81 ALOX5AP (0.46) ALOX5APFEN1GABRA1GABRG2GABRB3
SCHEMBL2183458 0.78 WNT3A (0.47) CYP3A4AAK1MAP4K4GSK3BDYRK1A
SCHEMBL7085698 0.78 NOTUM (0.44) AAK1ALOX5APFEN1PARP15PARP14
SCHEMBL23909979 0.78 AAK1 (0.44) CYP3A4AAK1ALOX5APFEN1GSK3B
SCHEMBL23910112 0.77 ALOX5AP (0.44) ALOX5APFEN1GABRA1GABRG2GABRB3
SCHEMBL8111393 0.76 KDM4E (0.45) CYP3A4TSHRGSK3BALDH1A1KDM4E
SCHEMBL23910100 0.76 KDM4E (0.43) CYP3A4AAK1ALOX5APFEN1GLA
SCHEMBL20329866 0.75 CYP3A4 (0.37) CYP3A4AAK1ALOX5APFEN1GABRA1
SCHEMBL20329372 0.75 MTOR (0.45) CYP3A4AAK1ALOX5APFEN1MAP4K4

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 CYP3A4 135/4885AAK1 2722/4885ALOX5AP 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.