SCHEMBL1706755

SCHEMBL1706755

Cc1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)c([N+](=O)[O-])cn2)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
LCK P06239 2/20 0.48
JAK3 P52333 2/20 0.48
MAPK13 O15264 1/20 0.48
ABL1 P00519 1/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
YES1 P07947 1/20 0.48
LYN P07948 1/20 0.48
HCK P08631 1/20 0.48
FGR P09769 1/20 0.48
KIT P10721 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
TYK2 P29597 8/20 0.41
JAK2 O60674 7/20 0.41
JAK1 P23458 6/20 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
SCHEMBL3516779 0.84 LCK (0.51) EGFRLCKJAK3MAPK13ABL1
SCHEMBL1706634 0.84 LCK (0.51) EGFRLCKJAK3MAPK13ABL1
SCHEMBL3515503 0.80 LCK (0.47) EGFRLCKJAK3MAPK13ABL1
SCHEMBL12989118 0.78 TYK2 (0.57) JAK3ABL1TYK2JAK2JAK1
SCHEMBL3512491 0.77 EGFR (0.69) EGFRJAK3TYK2JAK2JAK1
SCHEMBL1707683 0.72 PDE4A (0.39) LCKRAB9AABCG2POLBLMNA
SCHEMBL1707079 0.70 TYK2 (0.42) EGFRLCKJAK3MAPK13ABL1
SCHEMBL3513582 0.68 EGFR (0.69) EGFRJAK3TYK2JAK2JAK1
SCHEMBL12988655 0.68 TYK2 (0.68) EGFRJAK3TYK2JAK2JAK1
SCHEMBL3515806 0.67 ALDH1A1 (0.56) EGFRRAB9APOLBKMT2AMEN1

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
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 EGFR 212/4885LCK 127/4885JAK3 3/4885

“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.