SCHEMBL3395746

SCHEMBL3395746

Nc1cnc(Cl)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.48
NPC1 O15118 1/20 0.46
HDAC3 O15379 1/20 0.44
CASP6 P55212 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
KDR P35968 6/20 0.41
FLT1 P17948 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL1330149 0.84 NPC1 (0.47) METNPC1HDAC3CASP6KDM4E
SCHEMBL21167740 0.81 NPC1 (0.49) METNPC1HDAC3KDM4EALDH1A1
SCHEMBL3394316 0.81 PIN1 (0.48) METNPC1HDAC6KDR
SCHEMBL24591086 0.79 NPC1 (0.47) METNPC1HDAC3KDM4EALDH1A1
SCHEMBL16012778 0.79 EGFR (0.55) NPC1CASP6KDM4EALDH1A1TP53
SCHEMBL23127992 0.78 NPC1 (0.51) METNPC1HDAC3KDM4EALDH1A1
SCHEMBL23128076 0.78 NPC1 (0.44) METNPC1HDAC3KDM4EALDH1A1
SCHEMBL12069119 0.77 APP (0.55) ATM
SCHEMBL21167661 0.77 NPC1 (0.45) METNPC1HDAC3KDM4EALDH1A1
SCHEMBL1163132 0.77 NPC1 (0.53) METNPC1HDAC3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247185-B1 TYROSINE KINASE INHIBITORS TIGER PHARMATECH (US) 2014-04-16 EP disclosed
EP-2247185-B1 TYROSINE KINASE INHIBITORS TIGER PHARMATECH (US) 2014-04-16 EP disclosed
US-8598184-B2 Protein kinase inhibitors TIGER PHARMATECH (US) 2013-12-03 US disclosed
US-20100324074-A1 Protein Kinase Inhibitors ZHANG JUNHU 2010-12-23 US disclosed
US-20100324074-A1 Protein Kinase Inhibitors ZHANG JUNHU 2010-12-23 US disclosed
US-20100324074-A1 Protein Kinase Inhibitors ZHANG JUNHU 2010-12-23 US disclosed
EP-2247185-A2 TYROSINE KINASE INHIBITORS Tiger Pharmatech (US) 2010-11-10 EP disclosed
WO-2009111354-A2 TYROSINE KINASE INHIBITORS TIGER PHARMATECH (US) 2009-09-11 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-20100324074-A1 Protein Kinase Inhibitors MET, ABL1, ERBB2 MET 1/4885NPC1 2963/4885HDAC3 3328/4885

“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.