SCHEMBL3222277

SCHEMBL3222277

Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cncc(O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.52
BCR P11274 11/20 0.52
PRKCA P17252 5/20 0.52
EGFR P00533 5/20 0.52
SRC P12931 1/20 0.52
ALDH1A1 P00352 1/20 0.51
PDGFRB P09619 5/20 0.50
PDGFRA P16234 5/20 0.50
PLK1 P53350 1/20 0.48
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
GAA P10253 1/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL3107998 0.90 ABL1 (0.53) ABL1BCRPRKCAEGFRSRC
SCHEMBL14021195 0.88 ABL1 (0.52) ABL1BCRPRKCAEGFRSRC
SCHEMBL31671097 0.88 ABL1 (0.52) ABL1BCRPRKCAEGFRSRC
SCHEMBL3097563 0.88 ABL1 (0.52) ABL1BCRPRKCAEGFRSRC
SCHEMBL2572266 0.87 ABL1 (0.55) ABL1BCRPRKCAEGFRSRC
SCHEMBL29364396 0.86 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL1550 0.86 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL3093785 0.86 PIK3CA (0.55) ABL1BCRPRKCAEGFRSRC
Water SCHEMBL28827802 0.85 ABL1 (0.68) ABL1BCRPRKCAEGFRSRC
SCHEMBL2573788 0.85 ABL1 (0.65) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338417-B2 Compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338417-B2 Compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 US disclosed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
CN-101622244-A Compounds and compositions as protein kinase inhibitors IRM LLC 2010-01-06 CN disclosed
EP-2079729-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-07-22 EP disclosed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 WO disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 WO disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 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-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS PDGFRB, PDGFRA, KIT ABL1 9/4885BCR 65/4885PRKCA 4/4885
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS KIT, PDGFRA, PDGFRB ABL1 10/4885BCR 95/4885PRKCA 6/4885

“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.