SCHEMBL9971

SCHEMBL9971

Cc1cc(NC(=O)c2ccccc2)cc(Nc2nccc(-c3ccc[n+]([O-])c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.57
BCR P11274 13/20 0.57
PDGFRB P09619 11/20 0.57
PDGFRA P16234 11/20 0.57
PRKCA P17252 6/20 0.57
SRC P12931 4/20 0.57
PRKCD Q05655 3/20 0.57
PRKD3 O94806 1/20 0.57
PRKCG P05129 1/20 0.57
PRKCB P05771 1/20 0.57
PRKCH P24723 1/20 0.57
PRKCI P41743 1/20 0.57
PRKCE Q02156 1/20 0.57
PRKCQ Q04759 1/20 0.57
PRKCZ Q05513 1/20 0.57
PRKD1 Q15139 1/20 0.57
JAK2 O60674 1/20 0.55
EGFR P00533 1/20 0.54
KDR P35968 1/20 0.52
ABL2 P42684 1/20 0.48

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
SCHEMBL3048286 0.85 PDGFRA (0.73) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9862 0.84 ABL1 (0.79) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL3040065 0.76 PDGFRA (0.75) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9197 0.73 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL3123409 0.72 ABL1 (0.82) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL30752396 0.72 ABL1 (0.78) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL14021026 0.71 PDGFRB (0.63) ABL1BCRPDGFRBPDGFRAJAK2
SCHEMBL4903275 0.71 ABL1 (0.81) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4378752 0.71 JAK2 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9763 0.71 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA

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 13 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
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 31/4885PDGFRB 40/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 ABL1 5/4885BCR 31/4885PDGFRB 40/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 ABL1 4/4885BCR 22/4885PDGFRB 67/4885

“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.