SCHEMBL12846723

SCHEMBL12846723

Cc1ncc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)cc1CCN1CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.40
▸ EGFR P00533 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ CNR2 P34972 3/20 0.38
▸ DYRK1A Q13627 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ LTA4H P09960 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SYK P43405 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
SCHEMBL3654033 0.90 EGFR (0.39) MELKEGFRBTKCNR2DYRK1A
SCHEMBL3652219 0.88 EGFR (0.39) MELKEGFRBTKCNR2DYRK1A
SCHEMBL12788847 0.86 MELK (0.43) MELKDYRK1AIGF1R
SCHEMBL12846767 0.85 EGFR (0.43) MELKEGFRBTKCNR2DYRK1A
SCHEMBL12443126 0.85 EGFR (0.39) EGFRBTKCNR2DYRK1AIGF1R
SCHEMBL3647442 0.85 LTA4H (0.42) EGFRBTKCNR2DYRK1ALTA4H
SCHEMBL3647130 0.84 EGFR (0.45) MELKEGFRBTKLTA4H
SCHEMBL12443595 0.82 CNR2 (0.39) MELKEGFRBTKCNR2DYRK1A
SCHEMBL3644492 0.82 LTA4H (0.49) EGFRLTA4HSYK
SCHEMBL3650935 0.82 ACHE (0.40) EGFRBTKS1PR1SYK

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 MELK 183/4885EGFR 115/4885BTK 42/4885

“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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