SCHEMBL3394316

SCHEMBL3394316

O=[N+]([O-])c1cnc(Cl)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.48
PRKCQ Q04759 7/20 0.47
MET P08581 1/20 0.44
NPC1 O15118 2/20 0.44
KDR P35968 2/20 0.42
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1330877 0.86 MAPT (0.49) PRKCQMETNPC1KDRHDAC6
SCHEMBL16012092 0.81 PIN1 (0.64) PIN1NPC1
SCHEMBL1265338 0.81 PIN1 (0.53) PIN1PRKCQ
SCHEMBL3395746 0.81 MET (0.48) METNPC1KDRHDAC6
SCHEMBL3971786 0.80 PIN1 (0.65) PIN1PRKCQ
SCHEMBL3854087 0.79 PRKCQ (0.54) PIN1PRKCQ
SCHEMBL2598659 0.78 PIN1 (0.46) PIN1PRKCQ
SCHEMBL1917607 0.77 PIN1 (0.57) PIN1PRKCQ
SCHEMBL2177207 0.77 MAPT (0.42) METNPC1KDRHDAC6
SCHEMBL27845606 0.76 PDE5A (0.56) PIN1PRKCQ

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 9 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
CN-102014631-A Tyrosine kinase inhibitors TIGER PHARMATECH 2011-04-13 CN 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 PIN1 1760/4885PRKCQ 151/4885MET 1/4885

“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.