SCHEMBL2953587

SCHEMBL2953587

Nc1ncnc2c1c(-c1ccc3c(ccn3Cc3ccccc3Cl)c1)nn2C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 0.57
▸ PIK3CD O00329 13/20 0.56
▸ EGFR P00533 13/20 0.56
▸ PIK3CA P42336 12/20 0.56
▸ PIK3CB P42338 12/20 0.56
▸ PIK3CG P48736 12/20 0.56
▸ PRKDC P78527 12/20 0.56
▸ ABL1 P00519 11/20 0.56
▸ HCK P08631 11/20 0.56
▸ KDR P35968 11/20 0.56
▸ MTOR P42345 11/20 0.56
▸ EPHB4 P54760 11/20 0.56
▸ PI4KB Q9UBF8 7/20 0.54
▸ IGF1R P08069 3/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ BTK Q06187 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
Tert-Butyl Formate SCHEMBL27733969 0.92 SRC (0.53) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL2959431 0.91 EGFR (0.56) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL2962222 0.91 EGFR (0.56) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL4977239 0.90 SRC (0.49) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL16762572 0.90 SRC (0.49) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL2961978 0.90 SRC (0.59) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL2960030 0.89 IGF1R (0.57) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL4979594 0.89 SRC (0.48) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL2959607 0.87 IGF1R (0.54) SRCPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL2956130 0.87 IGF1R (0.54) SRCPIK3CDEGFRPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — 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 (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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 SRC 106/4885PIK3CD 264/4885EGFR 591/4885

“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.

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