SCHEMBL13860356

SCHEMBL13860356

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2CC1CCCN1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.65
SRC P12931 5/20 0.65
HCK P08631 4/20 0.65
PIK3CD O00329 1/20 0.65
ABL1 P00519 1/20 0.65
KDR P35968 1/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CB P42338 1/20 0.65
MTOR P42345 1/20 0.65
PIK3CG P48736 1/20 0.65
EPHB4 P54760 1/20 0.65
PRKDC P78527 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
BTK Q06187 19/20 0.63
LCK P06239 9/20 0.63
ITK Q08881 6/20 0.63
JAK3 P52333 2/20 0.63
FYN P06241 6/20 0.61
LYN P07948 5/20 0.61
FLT3 P36888 4/20 0.61

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
SCHEMBL13860354 1.00 EGFR (0.65) EGFRSRCHCKPIK3CDABL1
SCHEMBL13861274 0.90 SRC (0.61) EGFRSRCHCKPIK3CDABL1
SCHEMBL13861407 0.89 FYN (0.64) EGFRSRCHCKPIK3CDABL1
SCHEMBL15517441 0.89 SRC (0.63) EGFRSRCHCKPIK3CDABL1
SCHEMBL13860192 0.88 SRC (0.60) EGFRSRCHCKPIK3CDABL1
SCHEMBL15934560 0.87 BTK (0.59) EGFRSRCHCKPIK3CDABL1
SCHEMBL13860328 0.87 BTK (0.67) BTK
SCHEMBL5805094 0.85 ABL1 (0.73) EGFRSRCHCKPIK3CDABL1
Trifluoroacetic Acid SCHEMBL15517610 0.83 BTK (0.58) EGFRSRCHCKPIK3CDABL1
SCHEMBL15516278 0.81 LCK (0.63) EGFRSRCHCKKDRMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 US disclosed
WO-2012158795-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 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 (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-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, TEC EGFR 45/4885SRC 25/4885HCK 18/4885

“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.