SCHEMBL12846767

SCHEMBL12846767

O=C(O)C1CCN(CCc2cncc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.43
▸ BTK Q06187 4/20 0.43
▸ MELK Q14680 5/20 0.41
▸ LTA4H P09960 2/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ SYK P43405 1/20 0.34

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
SCHEMBL3647130 0.90 EGFR (0.45) EGFRBTKMELKLTA4HCHRM4
SCHEMBL3647442 0.90 LTA4H (0.42) EGFRBTKLTA4HCNR2DYRK1A
SCHEMBL12788849 0.86 BRAF (0.41) EGFRBTKMELKDYRK1AHRH3
SCHEMBL12846723 0.85 MELK (0.40) EGFRBTKMELKLTA4HCNR2
SCHEMBL12443126 0.85 EGFR (0.39) EGFRBTKLTA4HCNR2DYRK1A
SCHEMBL3652219 0.84 EGFR (0.39) EGFRBTKMELKLTA4HCNR2
SCHEMBL3654033 0.84 EGFR (0.39) EGFRBTKMELKLTA4HCNR2
SCHEMBL3644492 0.84 LTA4H (0.49) EGFRLTA4HHRH3JAK2SYK
SCHEMBL3651441 0.83 EGFR (0.46) EGFRBTKMELKCHRM4JAK2
SCHEMBL3651887 0.83 PTK2 (0.47) LTA4HHRH3CHRM4JAK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 — — US disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — 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-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS FYN, LCK, ERBB2 EGFR 115/4885BTK 42/4885MELK 183/4885

“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.

Send feedback