SCHEMBL3213027

SCHEMBL3213027

Cc1ccc(N)cc1Nc1nccc(-c2cncc3ccccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.64
BCR P11274 5/20 0.64
LCK P06239 2/20 0.61
RET P07949 2/20 0.53
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
PRKCA P17252 3/20 0.47
BRD4 O60885 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
CAMKK2 Q96RR4 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKCZ Q05513 1/20 0.44
PDGFRB P09619 4/20 0.44
PDGFRA P16234 4/20 0.44
EGFR P00533 3/20 0.43
IDH1 O75874 1/20 0.43

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
SCHEMBL4735694 0.85 ABL1 (0.71) ABL1BCRLCKRETCCNB2
SCHEMBL3228877 0.83 ALDH1A1 (0.49) ABL1BCRLCKRETCCNB2
SCHEMBL14041906 0.80 ABL1 (0.78) ABL1BCRLCKPRKCACAMKK2
SCHEMBL7601457 0.80 ABL1 (0.78) ABL1BCRLCKRETPRKCA
SCHEMBL24885526 0.79 ABL1 (0.66) ABL1BCRLCKRETCCNB2
SCHEMBL30078200 0.79 ABL1 (0.66) ABL1BCRLCKRETCCNB2
SCHEMBL14041543 0.79 ABL1 (0.69) ABL1BCRLCKRETPRKCA
SCHEMBL14041918 0.79 ABL1 (0.63) ABL1BCRLCKRETCDK1
Hydrochloric Acid SCHEMBL5205211 0.79 ABL1 (0.76) ABL1BCRLCKRETPRKCA
SCHEMBL4893292 0.79 ABL1 (0.65) ABL1BCRLCKRETCCNB2

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 9 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
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 65/4885LCK 352/4885
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS KIT, PDGFRA, PDGFRB ABL1 10/4885BCR 95/4885LCK 406/4885

“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.