SCHEMBL2328664

SCHEMBL2328664

O=C(c1cncc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)c1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 14/20 0.48
▸ CDK8 P49336 14/20 0.48
▸ EGFR P00533 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ PIM1 P11309 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ DYRK2 Q92630 1/20 0.40

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
SCHEMBL12789207 0.93 CCNC (0.49) CCNCCDK8MKNK1MKNK2PIM1
Tert-Butyl Formate SCHEMBL27789630 0.92 CCNC (0.44) CCNCCDK8EGFRBTKMKNK1
SCHEMBL2332285 0.85 DYRK2 (0.45) EGFRBTKDYRK2
SCHEMBL2327670 0.82 CSNK2A1 (0.45) EGFRBTKMKNK1MKNK2
SCHEMBL13472152 0.78 GRM5 (0.42) CCNCCDK8EGFRBTKMKNK1
SCHEMBL3648485 0.77 HRH3 (0.45) CCNCCDK8EGFRBTKMKNK1
SCHEMBL1735157 0.76 CCNC (0.55) CCNCCDK8MKNK2
SCHEMBL1735187 0.75 CCNC (0.63) CCNCCDK8MKNK1MKNK2
SCHEMBL3646314 0.75 EGFR (0.44) EGFRBTK
SCHEMBL27785692 0.74 EGFR (0.40) CCNCCDK8EGFRBTKMKNK2

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 9 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-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
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
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — US disclosed
EP-2190836-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 — — EP disclosed
WO-2009026204-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 — — WO 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 CCNC 2046/4885CDK8 919/4885EGFR 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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