SCHEMBL4269629

SCHEMBL4269629

Cc1ccc(N)cc1Nc1nccc(-c2cccnn2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.66
BCR P11274 6/20 0.66
LCK P06239 2/20 0.57
RET P07949 2/20 0.49
PRKCA P17252 3/20 0.47
SRC P12931 2/20 0.46
SYK P43405 1/20 0.46
CAMKK2 Q96RR4 1/20 0.45
PDGFRB P09619 4/20 0.44
PDGFRA P16234 4/20 0.44
EGFR P00533 5/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB2 O95067 1/20 0.41

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
SCHEMBL4893292 0.85 ABL1 (0.65) ABL1BCRLCKRETPRKCA
SCHEMBL4733842 0.81 ABL1 (0.67) ABL1BCRLCKRETPRKCA
SCHEMBL7601457 0.81 ABL1 (0.78) ABL1BCRLCKRETPRKCA
SCHEMBL4263329 0.81 ALDH1A1 (0.54) ABL1BCRPRKCASRCPDGFRB
SCHEMBL24885526 0.81 ABL1 (0.66) ABL1BCRLCKRETPRKCA
SCHEMBL30078200 0.81 ABL1 (0.66) ABL1BCRLCKRETPRKCA
Hydrochloric Acid SCHEMBL5205211 0.80 ABL1 (0.76) ABL1BCRLCKRETPRKCA
SCHEMBL2392 0.80 ABL1 (1.00) ABL1BCRPRKCASRCPDGFRB
SCHEMBL29366999 0.80 ABL1 (1.00) ABL1BCRPRKCASRCPDGFRB
SCHEMBL29555505 0.80 ABL1 (1.00) ABL1BCRPRKCASRCPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 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 (1 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR ABL1 1/4885BCR 3/4885LCK 23/4885

“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.