SCHEMBL12442985

SCHEMBL12442985

O=C(O)C1CCN(Cc2ccc(Nc3ncc(-c4ccc(OC(F)F)cc4)cn3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ MELK Q14680 4/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ PRKAA2 P54646 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ LTA4H P09960 1/20 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
SCHEMBL12443126 0.91 EGFR (0.39) EGFRBTKCHRM4POLBHRH3
SCHEMBL3651887 0.89 PTK2 (0.47) CHRM4PTK2POLBPRKAA2S1PR5
SCHEMBL3650207 0.85 GPR6 (0.41) EGFRBTKCHRM4PTK2POLB
SCHEMBL3652561 0.85 EGFR (0.40) EGFRBTKCHRM4PTK2POLB
SCHEMBL12788855 0.85 HRH3 (0.44) TBK1MELKHRH3GRM5LTA4H
SCHEMBL3644492 0.85 LTA4H (0.49) EGFRPTK2S1PR5HRH3LTA4H
SCHEMBL3650935 0.84 ACHE (0.40) EGFRBTKCHRM4PTK2POLB
SCHEMBL3651441 0.84 EGFR (0.46) TBK1EGFRBTKMELKCHRM4
SCHEMBL3647442 0.84 LTA4H (0.42) EGFRBTKCHRM4PTK2POLB
SCHEMBL27807596 0.83 GRM5 (0.39) EGFRBTKMELKPTK2POLB

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 L3MBTL1 3713/4885TBK1 747/4885EGFR 115/4885

“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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