SCHEMBL5089591

SCHEMBL5089591

O=C1NC(NCc2ccccc2)=N/C1=C\c1c[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CDC7 O00311 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CRHBP P24387 2/20 0.37
▸ CRHR2 Q13324 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDE5A O76074 4/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ PTPRF P10586 1/20 0.36
▸ PTPN2 P17706 1/20 0.36

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
SCHEMBL5089603 1.00 SMN1; SMN2 (0.44) SMN1; SMN2POLBCDC7EGFRACHE
SCHEMBL5092683 1.00 SMN1; SMN2 (0.44) SMN1; SMN2POLBCDC7EGFRACHE
SCHEMBL5089827 0.85 IP6K1 (0.38) CDC7EGFRIP6K1RET
SCHEMBL5089833 0.85 IP6K1 (0.38) CDC7EGFRIP6K1RET
SCHEMBL5095473 0.85 IP6K1 (0.38) CDC7EGFRIP6K1RET
SCHEMBL5101093 0.82 POLB (0.42) SMN1; SMN2POLBCDC7EGFRACHE
SCHEMBL5094652 0.82 POLB (0.42) SMN1; SMN2POLBCDC7EGFRACHE
SCHEMBL5094643 0.82 POLB (0.42) SMN1; SMN2POLBCDC7EGFRACHE
Hydrochloric Acid SCHEMBL5093023 0.80 CHEK1 (0.49) CDC7EGFRKMT2AIP6K1RET
Hydrochloric Acid SCHEMBL5093010 0.80 CHEK1 (0.49) CDC7EGFRKMT2AIP6K1RET

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 SMN1; SMN2 2310/4885POLB 1993/4885CDC7 128/4885

“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.

Send feedback