SCHEMBL5095386

SCHEMBL5095386

NC(=O)C1CCN(C2=N/C(=C/c3c[nH]c4ncccc34)C(=O)N2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.42
▸ DYRK1A Q13627 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HASPIN Q8TF76 4/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDC7 O00311 5/20 0.39
▸ DBF4 Q9UBU7 1/20 0.38
▸ PBK Q96KB5 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ RET P07949 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 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
SCHEMBL5095393 1.00 CHEK1 (0.42) CHEK1DYRK1AKMT2AKDM4ERECQL
SCHEMBL5095235 0.89 CDC7 (0.47) CHEK1DYRK1AKMT2AHASPINCCNT1
SCHEMBL5095241 0.89 CDC7 (0.47) CHEK1DYRK1AKMT2AHASPINCCNT1
SCHEMBL5095489 0.86 CHEK1 (0.43) CHEK1DYRK1AKMT2AHASPINCCNT1
SCHEMBL5095482 0.86 CHEK1 (0.43) CHEK1DYRK1AKMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5089709 0.86 CHEK1 (0.44) CHEK1DYRK1AKMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5089699 0.86 CHEK1 (0.44) CHEK1DYRK1AKMT2AHASPINCCNT1
SCHEMBL5101252 0.85 CHEK1 (0.49) CHEK1DYRK1AKMT2AHASPINCCNT1
SCHEMBL5101244 0.85 CHEK1 (0.49) CHEK1DYRK1AKMT2AHASPINCCNT1
SCHEMBL4761178 0.85 CDC7 (0.45) CHEK1DYRK1AKMT2AHASPINCCNT1

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 CHEK1 251/4885DYRK1A 308/4885KMT2A 1112/4885

“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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