SCHEMBL20547804

SCHEMBL20547804

OB(O)c1cc(F)ccc1Cn1cnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.55
CYP11B1 P15538 8/20 0.53
CYP11B2 P19099 8/20 0.53
BRD4 O60885 1/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IDO1 P14902 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PKM P14618 2/20 0.45
PPARG P37231 1/20 0.44
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL30099891 1.00 TNF (0.55) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL20547652 0.84 CYP11B1 (0.66) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL30099869 0.84 CYP11B1 (0.66) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL30497307 0.80 CYP11B1 (0.56) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL7436465 0.77 CYP11B1 (0.55) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL22126082 0.76 GALR3 (0.56) TNFMEN1KMT2ALMNAHTT
SCHEMBL28325028 0.75 CYP11B1 (0.69) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL28877566 0.74 BRD4 (0.60) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL4142913 0.74 CYP11B1 (0.77) TNFCYP11B1CYP11B2BRD4MAPK1
SCHEMBL30826274 0.74 CYP11B1 (0.77) TNFCYP11B1CYP11B2BRD4MAPK1

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-11457629-B2 Heteroarylphenylaminoquinolines and analogues BAYER AKTIENGESELLSCHAFT (DE) 2022-10-04 US disclosed
EP-3615523-B1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES BAYER AG (DE) 2021-07-14 EP disclosed
US-20200196602-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 US disclosed
EP-3615523-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES Bayer Aktiengesellschaft (DE) 2020-03-04 EP disclosed
WO-2018197692-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2018-11-01 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-20200196602-A1 HETEROARYLPHENYLAMINOQUINOLINES AND ANALOGUES PIK3C3, DDT, CYP4X1 TNF 4489/4885CYP11B1 507/4885CYP11B2 288/4885
US-11457629-B2 Heteroarylphenylaminoquinolines and analogues PIK3C3, CYP4X1, CYP1A2 TNF 4417/4885CYP11B1 191/4885CYP11B2 104/4885

“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.