SCHEMBL2074394

SCHEMBL2074394

Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3c(Cl)ccc4nsnc34)c(F)c1)cn2C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
TEK Q02763 3/20 0.49
ERBB2 P04626 2/20 0.49
ERBB3 P21860 2/20 0.49
ERBB4 Q15303 2/20 0.49
RIPK2 O43353 1/20 0.47
NEK7 Q8TDX7 11/20 0.47
ABL1 P00519 3/20 0.45
SRC P12931 3/20 0.45
ABL2 P42684 3/20 0.45
RET P07949 2/20 0.44
KIF5B P33176 2/20 0.44
KDR P35968 2/20 0.44
KCNH2 Q12809 1/20 0.44
CCDC6 Q16204 1/20 0.44
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
LCK P06239 1/20 0.44
NPM1 P06748 1/20 0.44

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
SCHEMBL2071764 0.92 NEK7 (0.51) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL2071940 0.87 EGFR (0.55) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL2075838 0.87 EGFR (0.49) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL2074937 0.86 RIPK2 (0.53) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL2076052 0.84 NEK7 (0.52) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL2075923 0.83 EGFR (0.63) EGFRTEKERBB2ERBB3ERBB4
SCHEMBL12934104 0.83 EIF2AK3 (0.54) EGFRTEKRIPK2NEK7ABL1
SCHEMBL2074912 0.83 NEK7 (0.51) EGFRTEKRIPK2NEK7ABL1
SCHEMBL12934182 0.82 NEK7 (0.51) EGFRTEKRIPK2NEK7ABL1
SCHEMBL2074412 0.82 EGFR (0.54) EGFRTEKRIPK2NEK7ABL1

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 11 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
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP claimed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO claimed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN EGFR 818/4885TEK 1465/4885ERBB2 894/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 EGFR 294/4885TEK 199/4885ERBB2 208/4885

“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.