SCHEMBL12443126

SCHEMBL12443126

O=C(O)C1CCN(CCc2ccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ DYRK1A Q13627 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ TUBB4A P04350 2/20 0.36
▸ TUBB P07437 2/20 0.36
▸ TUBA3C P0DPH7 2/20 0.36
▸ TUBA1B P68363 2/20 0.36
▸ TUBA4A P68366 2/20 0.36
▸ TUBB4B P68371 2/20 0.36
▸ TUBB3 Q13509 2/20 0.36
▸ TUBB2A Q13885 2/20 0.36
▸ TUBB8 Q3ZCM7 2/20 0.36
▸ TUBA3E Q6PEY2 2/20 0.36
▸ TUBA1A Q71U36 2/20 0.36
▸ TUBA1C Q9BQE3 2/20 0.36
▸ TUBB6 Q9BUF5 2/20 0.36
▸ TUBB2B Q9BVA1 2/20 0.36
▸ TUBB1 Q9H4B7 2/20 0.36

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
SCHEMBL12442985 0.91 L3MBTL1 (0.42) EGFRBTKLTA4HPOLBHRH3
SCHEMBL3647442 0.90 LTA4H (0.42) EGFRBTKDYRK1ACNR2LTA4H
SCHEMBL3644492 0.87 LTA4H (0.49) EGFRLTA4HTUBB4ATUBBTUBA3C
SCHEMBL3652219 0.86 EGFR (0.39) EGFRBTKDYRK1ACNR2LTA4H
SCHEMBL12788837 0.85 CYP1A2 (0.41) DYRK1AHRH3GRM5GSK3B
SCHEMBL3654033 0.85 EGFR (0.39) EGFRBTKDYRK1ACNR2LTA4H
SCHEMBL12443595 0.85 CNR2 (0.39) EGFRBTKDYRK1ACNR2LTA4H
SCHEMBL12846723 0.85 MELK (0.40) EGFRBTKDYRK1ACNR2LTA4H
SCHEMBL3647130 0.85 EGFR (0.45) EGFRBTKLTA4HCHRM4
SCHEMBL12846767 0.85 EGFR (0.43) EGFRBTKDYRK1ACNR2LTA4H

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-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 — — US disclosed
EP-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 — — EP disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — US disclosed
WO-2009026204-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — 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-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS FYN, LCK, ERBB2 EGFR 115/4885BTK 42/4885DYRK1A 170/4885

“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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