SCHEMBL4761178

SCHEMBL4761178

O=C1NC(N2CCC(O)C2)=N/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.45
▸ DBF4 Q9UBU7 2/20 0.45
▸ CHEK1 O14757 2/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ HASPIN Q8TF76 4/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ HSD11B1 P28845 3/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ RET P07949 1/20 0.35

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
SCHEMBL4761180 1.00 CDC7 (0.45) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5095235 0.95 CDC7 (0.47) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5095241 0.95 CDC7 (0.47) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5100617 0.94 CHEK1 (0.42) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5100603 0.94 CHEK1 (0.42) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5095489 0.86 CHEK1 (0.43) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5095482 0.86 CHEK1 (0.43) CDC7DBF4CHEK1KMT2AHASPIN
Hydrochloric Acid SCHEMBL5089709 0.85 CHEK1 (0.44) CDC7DBF4CHEK1KMT2AHASPIN
Hydrochloric Acid SCHEMBL5089699 0.85 CHEK1 (0.44) CDC7DBF4CHEK1KMT2AHASPIN
SCHEMBL5095393 0.85 CHEK1 (0.42) CDC7DBF4CHEK1KMT2AHASPIN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960399-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Pfizer Italia S.r.l. (IT) 2008-08-27 — — EP 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 claimed
WO-2007054508-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-05-18 — — WO 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 CDC7 128/4885DBF4 1882/4885CHEK1 251/4885

“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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