SCHEMBL22013370

SCHEMBL22013370

COc1ccc2ncc(C#N)c(O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
MAP2K1 Q02750 1/20 0.38
CSF1R P07333 3/20 0.38
MAP4K4 O95819 2/20 0.38
EGFR P00533 6/20 0.37
ERBB2 P04626 6/20 0.37
HPGDS O60760 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
SRC P12931 2/20 0.34
KIT P10721 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL6643170 0.86 CSF1R (0.36) CSF1RMAP4K4EGFRERBB2DYRK1A
SCHEMBL14361196 0.84 SRC (0.39) KCNH2CSF1RMAP4K4EGFRERBB2
SCHEMBL3278716 0.82 SRC (0.39) KCNH2CSF1RMAP4K4EGFRERBB2
SCHEMBL2819930 0.82 CSF1R (0.40) KCNH2CSF1RMAP4K4EGFRERBB2
SCHEMBL3272833 0.79 CSF1R (0.38) KCNH2MAP2K1CSF1RMAP4K4EGFR
SCHEMBL24569776 0.77 CSNK1A1 (0.38) EGFRERBB2DYRK1ACLK4SRC
SCHEMBL2770307 0.77 KCNH2 (0.36) KCNH2MAP4K4EGFR
SCHEMBL2490082 0.77 ERN1 (0.44) KCNH2
SCHEMBL30083629 0.77 CSNK1A1 (0.38) EGFRERBB2DYRK1ACLK4SRC
SCHEMBL29692876 0.77 ERN1 (0.44) KCNH2

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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 KCNH2 4266/4885MAP2K1 334/4885CSF1R 1964/4885

“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.