SCHEMBL5101450

SCHEMBL5101450

O=C1NC(N[C@@H](CN2CCCC2)c2ccccc2)=N/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.42
▸ RPS6KB1 P23443 3/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CCNT1 O60563 3/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ HASPIN Q8TF76 3/20 0.39
▸ PIM1 P11309 3/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ CDC7 O00311 6/20 0.37
▸ DYRK1A Q13627 4/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ PRKCG P05129 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
SCHEMBL5101465 1.00 CHEK1 (0.42) CHEK1RPS6KB1AURKBAURKACCNT1
Hydrochloric Acid SCHEMBL5095195 0.98 CHEK1 (0.41) CHEK1RPS6KB1AURKBAURKACCNT1
Hydrochloric Acid SCHEMBL5095201 0.98 CHEK1 (0.41) CHEK1RPS6KB1AURKBAURKACCNT1
Trifluoroacetic Acid SCHEMBL5089583 0.93 RPS6KB1 (0.38) CHEK1RPS6KB1AURKBAURKACCNT1
Trifluoroacetic Acid SCHEMBL5089597 0.93 RPS6KB1 (0.38) CHEK1RPS6KB1AURKBAURKACCNT1
Hydrochloric Acid SCHEMBL5092721 0.92 CHEK1 (0.40) CHEK1RPS6KB1AURKBCCNT1CDK9
Hydrochloric Acid SCHEMBL5094592 0.92 CDC7 (0.40) CHEK1RPS6KB1AURKBCCNT1CDK9
Hydrochloric Acid SCHEMBL5092730 0.92 CHEK1 (0.40) CHEK1RPS6KB1AURKBCCNT1CDK9
Hydrochloric Acid SCHEMBL5094589 0.92 CDC7 (0.40) CHEK1RPS6KB1AURKBCCNT1CDK9
SCHEMBL4791548 0.86 CDC7 (0.48) CHEK1CCNT1CDK9HASPINKMT2A

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 251/4885RPS6KB1 294/4885AURKB 170/4885

“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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