SCHEMBL2072947

SCHEMBL2072947

Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3sc(Cl)cc3Br)c(F)c1)cn2C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK7 Q8TDX7 14/20 0.52
RIPK2 O43353 1/20 0.49
EIF2AK3 Q9NZJ5 2/20 0.48
ABL1 P00519 3/20 0.47
EGFR P00533 3/20 0.47
SRC P12931 3/20 0.47
ABL2 P42684 3/20 0.47
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47
NPM1 P06748 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
ROS1 P08922 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL6876636 0.90 TEK (0.60) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL2075874 0.88 NEK7 (0.54) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL12934181 0.88 EIF2AK3 (0.51) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL2076175 0.86 EIF2AK3 (0.54) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL2074564 0.86 EIF2AK3 (0.64) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL12934182 0.85 NEK7 (0.51) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL2074953 0.84 EIF2AK3 (0.54) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL2072347 0.84 EIF2AK3 (0.54) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL12934104 0.83 EIF2AK3 (0.54) NEK7RIPK2EIF2AK3ABL1EGFR
SCHEMBL2071940 0.83 EGFR (0.55) NEK7RIPK2EIF2AK3ABL1EGFR

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 10 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
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 NEK7 3001/4885RIPK2 2575/4885EIF2AK3 3756/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 NEK7 2079/4885RIPK2 1330/4885EIF2AK3 1113/4885

“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.