SCHEMBL14970104

SCHEMBL14970104

N#CC1=C(c2ccc(Cl)cc2)NC2=C(C(=O)OC2)[C@H]1c1cc2c(N)nccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.44
▸ DRD5 P21918 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ ABCC9 O60706 6/20 0.32
▸ KCNJ11 Q14654 6/20 0.32
▸ ABCC8 Q09428 5/20 0.32
▸ KCNJ8 Q15842 5/20 0.32

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
SCHEMBL15426723 1.00 MET (0.44) METDRD5HTR2CHTR6ALDH1A1
SCHEMBL14969968 0.85 MET (0.47) METALDH1A1GAAKDM4EGLA
SCHEMBL12649854 0.85 MET (0.47) METALDH1A1GAAKDM4EGLA
SCHEMBL12649767 0.84 MET (0.48) METALDH1A1GAAMEN1MAPT
SCHEMBL14956189 0.84 MET (0.48) METALDH1A1GAAMEN1MAPT
SCHEMBL12649898 0.80 MET (0.51) METDRD5HTR2CHTR6ALDH1A1
SCHEMBL1769243 0.76 MET (0.48) METALDH1A1GAAMEN1MAPT
SCHEMBL15426699 0.74 MET (0.51) METALDH1A1MEN1MAPTKMT2A
SCHEMBL562365 0.71 MET (0.49) METDRD5HTR2CHTR6ALDH1A1
SCHEMBL14970033 0.71 MET (0.46) METDRD5HTR2CHTR6ALDH1A1

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-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 — — 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-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF MET, RET, ERBB4 MET 1/4885DRD5 1151/4885HTR2C 1143/4885

“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.

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