SCHEMBL12443595

SCHEMBL12443595

Cc1cc(CCN2CCC(C(=O)O)CC2)ncc1Nc1ncc(-c2ccc(OC(F)F)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.39
▸ MELK Q14680 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ LTA4H P09960 2/20 0.35
▸ SYK P43405 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33

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
SCHEMBL12788841 0.86 AXL (0.39) CNR2PIK3CAPRKDCDYRK1AHRH3
SCHEMBL12443126 0.85 EGFR (0.39) CNR2DYRK1ALTA4HSYKEGFR
SCHEMBL3654033 0.84 EGFR (0.39) CNR2MELKDYRK1ALTA4HSYK
SCHEMBL12846723 0.82 MELK (0.40) CNR2MELKDYRK1ALTA4HSYK
SCHEMBL3647442 0.81 LTA4H (0.42) CNR2DYRK1ALTA4HSYKEGFR
SCHEMBL3647130 0.80 EGFR (0.45) MELKLTA4HEGFRBTK
SCHEMBL12846767 0.80 EGFR (0.43) CNR2MELKDYRK1ALTA4HSYK
SCHEMBL3652219 0.80 EGFR (0.39) CNR2MELKDYRK1ALTA4HSYK
SCHEMBL3644492 0.79 LTA4H (0.49) LTA4HSYKEGFRHRH3TUBB4A
SCHEMBL3650935 0.79 ACHE (0.40) SYKEGFRBTKS1PR1

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 CNR2 1606/4885MELK 183/4885PIK3CA 363/4885

“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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