SCHEMBL3159683

SCHEMBL3159683

Clc1ncc(Cc2ccncc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
PLA2G7 Q13093 2/20 0.41
FLT1 P17948 8/20 0.39
KDR P35968 8/20 0.39
PDGFRB P09619 3/20 0.39
KIT P10721 2/20 0.39
CIT O14578 1/20 0.39
EGFR P00533 1/20 0.39
HLA-A P04439 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 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
SCHEMBL7128318 0.88 MET (0.42) CYP11B1CYP11B2LMNACYP3A4MAPT
SCHEMBL15702657 0.80 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL4830003 0.76 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL2201541 0.76 FLT1 (0.64) FLT1KDRPDGFRBKITCIT
SCHEMBL22093967 0.74 PDE4A (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL31308997 0.74 PDE4A (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL6844790 0.74 PDXK (0.50) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL7129816 0.74 KDM4E (0.40) LMNACYP3A4APEX1MAPK1
SCHEMBL4828189 0.73 HTR1A (0.50) CYP11B1CYP11B2
SCHEMBL4824943 0.73 KCNH2 (0.43) CYP11B1CYP11B2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107964-B1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2010-03-03 EP disclosed
EP-1603566-B1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES NOVARTIS AG (CH) 2009-01-21 EP disclosed
CN-1758910-A Use of isoquinoline derivatives for treating cancer and MAP kinase related diseases NOVARTIS AG (CH) 2006-04-12 CN disclosed
EP-1603566-A1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES Novartis AG (CH) 2005-12-14 EP disclosed
WO-2004080464-A1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES NOVARTIS AG (CH) 2004-09-23 WO disclosed
CN-1152031-C Isoquinoline derivatives having angiogenesis inhibitory activity ��˹��ŵ�� 2004-06-02 CN disclosed
US-6608071-B2 Angiogenesis inhibitors as antitumor agents NOVARTIS AG (CH) 2003-08-19 US disclosed
US-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity NOVARTIS AG (CH) 2002-01-24 US disclosed
CN-1319100-A Isoquinoline derivatives having angiogenesis inhibitory activity NOVARTIS AG (CH) 2001-10-24 CN disclosed
EP-1107964-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2001-06-20 EP disclosed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 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-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity VEGFA, CCNY, PGF CYP11B1 403/4885CYP11B2 228/4885CYP17A1 1526/4885

“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.