SCHEMBL2076052

SCHEMBL2076052

Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK7 Q8TDX7 5/20 0.52
EGFR P00533 8/20 0.52
TEK Q02763 4/20 0.52
ERBB2 P04626 3/20 0.52
ERBB3 P21860 3/20 0.52
ERBB4 Q15303 3/20 0.52
ABL1 P00519 5/20 0.51
SRC P12931 5/20 0.51
ABL2 P42684 5/20 0.51
JAK2 O60674 1/20 0.51
NTRK1 P04629 1/20 0.51
INSR P06213 1/20 0.51
LCK P06239 1/20 0.51
NPM1 P06748 1/20 0.51
CSF1R P07333 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
ROS1 P08922 1/20 0.51

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
SCHEMBL2071940 0.95 EGFR (0.55) NEK7EGFRTEKERBB2ERBB3
SCHEMBL6460003 0.91 TEK (0.63) NEK7EGFRTEKERBB2ERBB3
SCHEMBL2074616 0.89 EIF2AK3 (0.54) NEK7EGFRTEKERBB2ERBB3
SCHEMBL2075923 0.89 EGFR (0.63) NEK7EGFRTEKERBB2ERBB3
SCHEMBL2074937 0.88 RIPK2 (0.53) NEK7EGFRTEKERBB2ERBB3
SCHEMBL2074338 0.88 EIF2AK3 (0.53) NEK7EGFRTEKERBB2ERBB3
SCHEMBL2074412 0.88 EGFR (0.54) NEK7EGFRTEKABL1SRC
SCHEMBL12934154 0.87 NEK7 (0.52) NEK7EGFRTEKERBB2ERBB3
SCHEMBL6465261 0.86 TEK (0.66) NEK7EGFRTEKERBB2ERBB3
SCHEMBL12934104 0.85 EIF2AK3 (0.54) NEK7EGFRTEKABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP claimed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US claimed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN NEK7 3001/4885EGFR 818/4885TEK 1465/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 NEK7 2079/4885EGFR 294/4885TEK 199/4885

“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.