SCHEMBL3099819

SCHEMBL3099819

COc1cncc(-c2ccnc(Nc3cc(N)ccc3C)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.69
BCR P11274 9/20 0.69
PRKCA P17252 4/20 0.51
CDK5 Q00535 2/20 0.50
LCK P06239 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PDGFRA P16234 7/20 0.48
PDGFRB P09619 6/20 0.48
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
EGFR P00533 5/20 0.45
SRC P12931 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45

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
SCHEMBL13492312 0.88 ABL1 (0.64) ABL1BCRPRKCALCKPDGFRA
SCHEMBL3102442 0.87 ABL1 (0.63) ABL1BCRPRKCALCKPDGFRA
SCHEMBL13157373 0.86 ABL1 (0.75) ABL1BCRPRKCALCKPDGFRA
SCHEMBL13492620 0.85 ABL1 (0.53) ABL1BCRPRKCALCKPDGFRA
SCHEMBL29726383 0.84 ABL1 (0.72) ABL1BCRPRKCALCKPDGFRA
SCHEMBL3561815 0.84 ABL1 (0.72) ABL1BCRPRKCALCKPDGFRA
SCHEMBL14041907 0.84 ABL1 (0.72) ABL1BCRPRKCALCKPDGFRA
SCHEMBL2575958 0.84 ABL1 (0.78) ABL1BCRPRKCALCKPDGFRA
SCHEMBL14041906 0.83 ABL1 (0.78) ABL1BCRPRKCALCKPDGFRA
SCHEMBL3221971 0.83 ABL1 (0.53) ABL1BCRPRKCAPDGFRAPDGFRB

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
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-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-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
EP-2152688-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-02-17 EP disclosed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 WO 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

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.