SCHEMBL2075149

SCHEMBL2075149

COc1cc(-c2cn(C3CCCC3)c3ncnc(N)c23)ccc1NS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.67
SRC P12931 8/20 0.54
ABL1 P00519 6/20 0.54
EGFR P00533 6/20 0.54
ABL2 P42684 6/20 0.54
EIF2AK3 Q9NZJ5 8/20 0.54
LCK P06239 3/20 0.53
KDR P35968 2/20 0.53
RIPK2 O43353 2/20 0.49
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
INSR P06213 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

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
SCHEMBL12934111 0.91 TEK (0.71) TEKSRCABL1EGFRABL2
SCHEMBL12934114 0.91 TEK (0.71) TEKSRCABL1EGFRABL2
SCHEMBL12934120 0.90 TEK (0.70) TEKSRCABL1EGFRABL2
SCHEMBL2075286 0.90 TEK (0.81) TEKSRCABL1EGFRABL2
SCHEMBL7006046 0.88 TEK (0.68) TEKSRCABL1EGFRABL2
SCHEMBL2072174 0.88 TEK (0.67) TEKSRCABL1EGFRABL2
SCHEMBL12934119 0.88 TEK (0.67) TEKSRCABL1EGFRABL2
SCHEMBL12934124 0.88 TEK (0.69) TEKSRCABL1EGFRABL2
SCHEMBL2074229 0.86 TEK (0.65) TEKSRCABL1EGFRABL2
SCHEMBL12934138 0.86 TEK (0.73) TEKSRCABL1EGFRABL2

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-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
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 TEK 1465/4885SRC 46/4885ABL1 122/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 TEK 199/4885SRC 89/4885ABL1 189/4885

“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.