SCHEMBL18399586

SCHEMBL18399586

O=C(Nc1cnc2[nH]ccc2c1C1CCCCCCC1)c1ccccccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
BTK Q06187 2/20 0.46
EGFR P00533 2/20 0.45
AURKB Q96GD4 2/20 0.45
ADCY1 Q08828 1/20 0.45
ROCK2 O75116 3/20 0.42
INCENP Q9NQS7 1/20 0.42
CIT O14578 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKACA P17612 1/20 0.42
CSNK2A2 P19784 1/20 0.42
MARK3 P27448 1/20 0.42
BMPR1A P36894 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK1 P49759 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL21157772 0.83 ADCY1 (0.44) PARP1BTKADCY1CCR8KDM4E
SCHEMBL22853575 0.82 JAK3 (0.49) BTKAURKBROCK2PRKD3PRKACA
SCHEMBL22018234 0.82 JAK3 (0.49) BTKAURKBROCK2PRKD3PRKACA
SCHEMBL20368735 0.82 JAK3 (0.49) BTKAURKBROCK2PRKD3PRKACA
SCHEMBL18399529 0.82 MALT1 (0.52) ADCY1CCR8KDM4E
SCHEMBL22018420 0.79 KDM4E (0.50) ADCY1GSK3AGSK3BCCR8KDM4E
SCHEMBL22018149 0.74 KDM4E (0.50) ADCY1GSK3AGSK3BKDM4ENPC1
SCHEMBL18399585 0.74 ADCY1 (0.42) ADCY1GSK3BCCR8KDM4ENPC1
SCHEMBL18399571 0.73 ADCY1 (0.46) ADCY1CCR8KDM4ENPC1TP53
SCHEMBL4772895 0.72 ROCK2 (0.67) PARP1EGFRAURKBROCK2INCENP

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-20190209537-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2019-07-11 US disclosed
US-9550765-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-01-24 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-20190209537-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 PARP1 1418/4885BTK 61/4885EGFR 712/4885

“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.