SCHEMBL15907286

SCHEMBL15907286

CCC1=CC(C(=O)Nc2cccc(C#Cc3nnc4c(C(=O)O)cccn34)c2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PTPN11 Q06124 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN6 P29350 1/20 0.34
HPGD P15428 1/20 0.34
PDGFRB P09619 4/20 0.33
KDR P35968 4/20 0.33
KCNK3 O14649 2/20 0.32
KCNK9 Q9NPC2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
IKBKB O14920 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL15907246 0.85 GAA (0.37) HTTRXFP1PTPN11MAPTHPGD
SCHEMBL15907301 0.79 KDR (0.36) PTPN11PDGFRBKDRIKBKB
SCHEMBL15907316 0.77 CSF1R (0.35) RXFP1PTPN11PDGFRBKDRKCNK3
SCHEMBL18323207 0.74 GRM5 (0.39) HTTPTPN11PTPN1PTPRBPTPN6
SCHEMBL15907277 0.68 ABL1 (0.56) KDR
SCHEMBL18323137 0.68 ABL1 (0.64) KDR
SCHEMBL15907288 0.67 SMO (0.41) KDRKCNK3KCNK9MEN1KMT2A
SCHEMBL18323162 0.66 SMO (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15907283 0.66 RAB9A (0.41) RXFP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL15907264 0.66 ABL1 (0.36) KDR

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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 HTT 1404/4885RXFP1 4528/4885PTPN11 356/4885

“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.