SCHEMBL20547652

SCHEMBL20547652

OB(O)c1ccccc1Cn1cnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.66
CYP11B2 P19099 8/20 0.66
TNF P01375 2/20 0.56
LMNA P02545 4/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BRD4 O60885 1/20 0.51
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
APAF1 O14727 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47

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
SCHEMBL30099869 1.00 CYP11B1 (0.66) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL30099891 0.84 TNF (0.55) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL20547804 0.84 TNF (0.55) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL30826274 0.84 CYP11B1 (0.77) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL4142913 0.84 CYP11B1 (0.77) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL30099863 0.83 KCNH2 (0.53) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL22126105 0.83 KCNH2 (0.53) CYP11B1CYP11B2TNFLMNAHTT
Hydrochloric Acid SCHEMBL31253891 0.82 CYP11B1 (0.75) CYP11B1CYP11B2TNFLMNAHTT
Bromide SCHEMBL31253900 0.82 CYP11B1 (0.75) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL22533982 0.82 FGFR1 (0.49) CYP11B1CYP11B2TNFLMNAHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.