SCHEMBL15907153

SCHEMBL15907153

Cc1cccc2nnc(C#Cc3cccc(C(=O)Nc4ccc(OCCN5CCCC5)cc4)c3)n12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.56
MCHR1 Q99705 4/20 0.51
GCK P35557 2/20 0.45
ABL1 P00519 3/20 0.44
BCR P11274 2/20 0.44
LTA4H P09960 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KCNH2 Q12809 1/20 0.43
EGFR P00533 1/20 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
SCHEMBL15800808 0.78 ABL1 (0.51) KDRABL1BCRHRH3KCNH2
SCHEMBL10207513 0.76 KDR (0.64) KDRMCHR1ABL1BCRLTA4H
SCHEMBL15907148 0.75 PDGFRB (0.43) KDRABL1KDM4E
SCHEMBL4969245 0.71 MCHR1 (0.70) KDRMCHR1LTA4HNPC1RAB9A
SCHEMBL15907253 0.70 BCAT2 (0.45) KDRABL1BCRNPC1RAB9A
SCHEMBL14306272 0.70 HTR2A (0.51) KDRMCHR1ABL1KCNH2
SCHEMBL7874113 0.69 SMN1; SMN2 (0.65) KDRMCHR1SMN1; SMN2MAPTHRH3
SCHEMBL7862088 0.69 KDR (0.64) KDRMCHR1SMN1; SMN2LMNAKDM4E
SCHEMBL22243547 0.67 KDR (0.49) KDRMCHR1GCKABL1BCR
SCHEMBL12128447 0.67 HRH4 (0.72) KDRMCHR1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
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 KDR 676/4885MCHR1 4530/4885GCK 1027/4885

“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.