SCHEMBL4828189

SCHEMBL4828189

Clc1ncc(CCc2cccnc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTR5A P47898 1/20 0.45
CHRNA7 P36544 2/20 0.45
GPR84 Q9NQS5 1/20 0.43
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTT P42858 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
SCHEMBL4832625 0.81 GAA (0.43) ALDH1A1HRH1
SCHEMBL1382851 0.78 FLT1 (0.60) CYP1A2CYP2D6HTR5AL3MBTL1HTT
SCHEMBL7015751 0.78 CYP1A2 (0.56) HTR1ADRD2CYP1A2CYP2D6HTR5A
SCHEMBL1382926 0.76 FLT1 (0.46) HTR1ADRD2CYP1A2CYP2D6HTR5A
SCHEMBL4814640 0.76 FLT1 (0.48) CYP1A2CYP2D6HTR5ACHRNA7GPR84
SCHEMBL28480379 0.76 CYP1A2 (0.53) HTR1ADRD2CYP1A2CYP2D6CHRNA7
SCHEMBL29485692 0.74 CHRNA7 (0.74) CYP1A2CYP2D6CHRNA7CYP2A6HRH4
SCHEMBL724866 0.74 CHRNA7 (0.74) CYP1A2CYP2D6CHRNA7CYP2A6HRH4
SCHEMBL7128318 0.74 MET (0.42) CYP11B1CYP11B2
SCHEMBL3159683 0.73 CYP11B1 (0.44) CYP11B1CYP11B2

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-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 US disclosed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 EP disclosed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 US disclosed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 US disclosed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 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-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase FLT1, FLT4, KDR HTR1A 713/4885DRD2 3784/4885CYP1A2 269/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR HTR1A 922/4885DRD2 3529/4885CYP1A2 374/4885

“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.