SCHEMBL5089833

SCHEMBL5089833

Nc1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.38
▸ EGFR P00533 2/20 0.36
▸ DHFR P00374 2/20 0.35
▸ DYRK1A Q13627 5/20 0.35
▸ CDC7 O00311 3/20 0.35
▸ DYRK3 O43781 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ CLK1 P49759 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DYRK4 Q9NR20 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ CSNK2A2 P19784 2/20 0.34
▸ CSNK2B P67870 2/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ CSNK2A3 Q8NEV1 2/20 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
SCHEMBL5089827 1.00 IP6K1 (0.38) IP6K1EGFRDHFRDYRK1ACDC7
SCHEMBL5095473 1.00 IP6K1 (0.38) IP6K1EGFRDHFRDYRK1ACDC7
SCHEMBL5089591 0.85 SMN1; SMN2 (0.44) IP6K1EGFRCDC7RET
SCHEMBL5092683 0.85 SMN1; SMN2 (0.44) IP6K1EGFRCDC7RET
SCHEMBL5089603 0.85 SMN1; SMN2 (0.44) IP6K1EGFRCDC7RET
Hydrochloric Acid SCHEMBL5093023 0.83 CHEK1 (0.49) IP6K1EGFRDYRK1ACDC7DYRK3
Hydrochloric Acid SCHEMBL5093010 0.83 CHEK1 (0.49) IP6K1EGFRDYRK1ACDC7DYRK3
Hydrochloric Acid SCHEMBL5089735 0.83 CDC7 (0.40) IP6K1EGFRDYRK1ACDC7DYRK3
Hydrochloric Acid SCHEMBL5089751 0.83 CDC7 (0.40) IP6K1EGFRDYRK1ACDC7DYRK3
SCHEMBL5089588 0.79 EGFR (0.37) IP6K1EGFRDHFRDYRK1ACDC7

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-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US claimed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — US claimed
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US disclosed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — 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-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K6, MAP3K1 IP6K1 144/4885EGFR 678/4885DHFR 756/4885

“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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