SCHEMBL4162173

SCHEMBL4162173

Clc1cccc(Nc2cncc(-c3ccncc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.58
SLC22A12 Q96S37 1/20 0.58
KDR P35968 8/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
TDP2 O95551 1/20 0.47
FGFR2 P21802 3/20 0.46
EGFR P00533 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
INSR P06213 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL4187426 0.87 ABL1 (0.60) XDHSLC22A12KDRMEN1KMT2A
SCHEMBL4931253 0.83 XDH (0.56) XDHSLC22A12KDRMEN1KMT2A
SCHEMBL4159902 0.82 NPC1 (0.49) XDHSLC22A12KDRMEN1KMT2A
SCHEMBL4152611 0.82 PKMYT1 (0.52) XDHSLC22A12KDRPDGFRBFLT1
SCHEMBL10570513 0.80 KMT2A (0.62) MEN1KMT2AKDM4EALDH1A1ABL1
SCHEMBL4160318 0.77 ROCK2 (0.48) KDRGSK3AGSK3BINSRSMN1; SMN2
SCHEMBL4191746 0.77 BRAF (0.68) XDHSLC22A12KDRCNR1
SCHEMBL4196450 0.77 PIP4K2A (0.58) XDHSLC22A12ALDH1A1ABL1BCR
SCHEMBL3954788 0.77 ABL1 (0.58) MEN1KMT2AALDH1A1CHRNB4CHRNA3
SCHEMBL28949368 0.76 CHRNB4 (0.51) XDHSLC22A12KDRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 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 (2 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT XDH 750/4885SLC22A12 4511/4885KDR 655/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA XDH 527/4885SLC22A12 2928/4885KDR 3935/4885

“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.