SCHEMBL5094643

SCHEMBL5094643

O=[N+]([O-])c1cnc2[nH]cc(/C=C3/CNC(NCc4ccccc4)=N3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE5A O76074 4/20 0.41
▸ ACHE P22303 1/20 0.39
▸ CDC7 O00311 2/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 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
▸ CRHBP P24387 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CRHR2 Q13324 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
SCHEMBL5101093 1.00 POLB (0.42) POLBSMN1; SMN2PDE5AACHECDC7
SCHEMBL5094652 1.00 POLB (0.42) POLBSMN1; SMN2PDE5AACHECDC7
SCHEMBL5089603 0.82 SMN1; SMN2 (0.44) POLBSMN1; SMN2PDE5AACHECDC7
SCHEMBL5092683 0.82 SMN1; SMN2 (0.44) POLBSMN1; SMN2PDE5AACHECDC7
SCHEMBL5089591 0.82 SMN1; SMN2 (0.44) POLBSMN1; SMN2PDE5AACHECDC7
SCHEMBL4355680 0.68 KMT2A (0.46) SMN1; SMN2MEN1KMT2AMAPTCYP3A4
SCHEMBL29953854 0.68 KMT2A (0.46) SMN1; SMN2MEN1KMT2AMAPTCYP3A4
SCHEMBL5095473 0.66 IP6K1 (0.38) CDC7EGFR
SCHEMBL5089827 0.66 IP6K1 (0.38) CDC7EGFR
SCHEMBL5089833 0.66 IP6K1 (0.38) CDC7EGFR

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-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 POLB 1993/4885SMN1; SMN2 2310/4885PDE5A 560/4885

“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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