SCHEMBL1801

SCHEMBL1801

O=[N+]([O-])c1cccc(Nc2nccc(-c3ccc[n+]([O-])c3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.71
BCR P11274 3/20 0.71
PRKCA P17252 3/20 0.71
EGFR P00533 2/20 0.71
SRC P12931 1/20 0.71
PLK1 P53350 1/20 0.64
CDK2 P24941 8/20 0.57
CDK4 P11802 8/20 0.56
CCNT1 O60563 4/20 0.55
CDK9 P50750 4/20 0.55
GSK3B P49841 3/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK7 P50613 2/20 0.55
CCNH P51946 2/20 0.55
AURKA O14965 1/20 0.55
CCNB2 O95067 1/20 0.55
CCNE2 O96020 1/20 0.55
CCND1 P24385 1/20 0.55

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
SCHEMBL824007 0.86 ABL1 (0.84) ABL1BCRPRKCAEGFRSRC
SCHEMBL1977 0.83 ABL1 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL1144 0.82 ABL1 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734622 0.81 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4739200 0.81 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733637 0.81 ABL1 (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733339 0.79 PLK1 (0.75) ABL1BCRPRKCAEGFRSRC
SCHEMBL4735511 0.79 PLK1 (0.75) ABL1BCRPRKCAEGFRSRC
SCHEMBL4736155 0.79 ABL1 (0.71) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734812 0.79 ABL1 (0.71) ABL1BCRPRKCAEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 EP claimed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US claimed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP claimed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US disclosed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 US disclosed
US-20050203612-A1 Luminal prostheses which allow for programmed and controlled delivery of mycophenolic acid or derivatives with increased efficacy to selected locations within a patient's vasculature to inhibit restenosis and hyperplasia AVANTEC VASCULAR CORPORATION (US) 2005-09-15 US disclosed
EP-1539041-A1 DEVICES DELIVERING THERAPEUTIC AGENTS AND METHODS REGARDING THE SAME Avantec Vascular Corporation (US) 2005-06-15 EP disclosed
WO-2005051229-A2 DEVICES DELIVERING THERAPEUTIC AGENTS AND METHODS REGARDING THE SAME AVANTEC VASCULAR CORPORATION (US) 2005-06-09 WO disclosed
US-20050125054-A1 Devices delivering therapeutic agents and methods regarding the same AVANTEC VASCULAR CORPORATION (US) 2005-06-09 US disclosed
WO-2004010900-A1 DEVICES DELIVERING THERAPEUTIC AGENTS AND METHODS REGARDING THE SAME AVANTEC VASCULAR CORPORATION (US) 2004-02-05 WO disclosed
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 EP disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP 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 (3 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 ABL1 5/4885BCR 31/4885PRKCA 300/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 ABL1 5/4885BCR 31/4885PRKCA 300/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 ABL1 4/4885BCR 22/4885PRKCA 592/4885

“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.