SCHEMBL20550993

SCHEMBL20550993

Brc1cccnc1Nc1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.59
TNF P01375 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 3/20 0.45
KDR P35968 5/20 0.44
ALDH1A1 P00352 1/20 0.44
ULK1 O75385 1/20 0.44
IGF1R P08069 3/20 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
SCHEMBL12994066 0.82 GRM4 (0.59) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL21203658 0.82 GRM4 (0.59) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL20551117 0.82 TNF (0.51) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL20551109 0.81 TNF (0.50) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL18796078 0.80 NPSR1 (0.49) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL30099860 0.80 NPSR1 (0.49) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL22229502 0.80 KDR (0.54) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL20552020 0.80 KDR (0.57) GRM4TNFNPC1RAB9ASMN1; SMN2
SCHEMBL22229531 0.80 CYP1A2 (0.57) GRM4TNFNPC1RAB9ANPSR1
SCHEMBL1702408 0.80 IGF1R (0.57) GRM4TNFNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 US claimed
EP-3618632-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES Bayer Aktiengesellschaft (DE) 2020-03-11 EP claimed
WO-2018202706-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2018-11-08 WO claimed
US-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 US disclosed
EP-3618632-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES Bayer Aktiengesellschaft (DE) 2020-03-11 EP disclosed
WO-2018202706-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2018-11-08 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 (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-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES PIK3C3, ERG28, DDT GRM4 2291/4885TNF 4347/4885NPC1 2706/4885

“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.