SCHEMBL23915997

SCHEMBL23915997

N#Cc1cc(N)ccc1-c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
GCGR P47871 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL23915974 0.82 KIF11 (0.52) ALOX5APFEN1CYP11B1CYP11B2TSHR
SCHEMBL23916000 0.81 KDM4E (0.46) ALOX5APFEN1CYP11B1CYP11B2TSHR
SCHEMBL3898071 0.76 ALOX5AP (0.56) ALOX5APFEN1CYP11B1CYP11B2TSHR
SCHEMBL8387409 0.74 RXRA (0.34) ALOX5APFEN1CYP11B1CYP11B2GLA
SCHEMBL23910015 0.73 KIF11 (0.61) TSHRALDH1A1RXRARXRBRXRG
SCHEMBL23910112 0.72 ALOX5AP (0.44) ALOX5APFEN1CYP11B1CYP11B2TSHR
SCHEMBL30101062 0.72 KDM4E (0.48) ALOX5APFEN1CYP11B1CYP11B2KDM4E
SCHEMBL2638947 0.72 KDM4E (0.55) CYP11B1CYP11B2TSHRGLAPOLB
SCHEMBL21917302 0.71 RXRA (0.34) ALOX5APFEN1GCGRCYP11B1CYP11B2
SCHEMBL5851615 0.71 TSHR (0.50) TSHRGLAPOLBGAAALDH1A1

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-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 ALOX5AP 419/4885FEN1 4761/4885GCGR 1619/4885

“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.