SCHEMBL5789718

SCHEMBL5789718

CCOc1cccc(Nc2[nH]nc3c2Cc2cc(OCC)c(OCCCOCCOCCN)cc2-3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.40
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL4050325 0.89 PDGFRB (0.48) PDGFRBKDM4EMAPTALDH1A1POLB
SCHEMBL4040400 0.87 PDGFRB (0.42) PDGFRBKDM4EMAPTALDH1A1POLB
SCHEMBL5788894 0.86 PDGFRB (0.50) PDGFRBABL1LCKFYNFGFR1
SCHEMBL4042948 0.86 PDGFRB (0.43) PDGFRBKDM4EMAPTALDH1A1POLB
SCHEMBL4045228 0.83 PDGFRB (0.49) PDGFRBKDM4EMAPTALDH1A1POLB
SCHEMBL4043228 0.83 PDGFRB (0.56) PDGFRBKDM4EMAPTALDH1A1POLB
SCHEMBL4044016 0.83 PDGFRB (0.56) PDGFRBKDM4EMAPTALDH1A1POLB
SCHEMBL4042760 0.82 PDGFRB (0.49) PDGFRBABL1LCKFYNFGFR1
SCHEMBL4042510 0.82 PDGFRB (0.49) PDGFRBABL1LCKFYNFGFR1
SCHEMBL5790531 0.81 PDGFRB (0.54) PDGFRBABL1LCKFYNFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682516-A2 IMMOBILIZED N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES FOR THE IDENTIFICATION OF BIOMOLECULAR TARGETS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-26 EP disclosed
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 US disclosed
WO-2005049579-A2 IMMOBILIZED N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES FOR THE IDENTIFICATION OF BIOMOLECULAR TARGETS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-02 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-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets ABAT, NAT1, AADAC PDGFRB 1644/4885KDM4E 4180/4885MAPT 4052/4885

“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.