SCHEMBL5094611

SCHEMBL5094611

O=C1NC(NCCN2CCCC2)=N/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ KAT2B Q92831 3/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ CDC7 O00311 2/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ RET P07949 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NEK1 Q96PY6 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CSNK2A2 P19784 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
SCHEMBL5094615 1.00 CHEK1 (0.44) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5089703 0.98 CHEK1 (0.42) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5089691 0.98 CHEK1 (0.42) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL5090060 0.92 CDC7 (0.42) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL5090064 0.92 CDC7 (0.42) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL5092817 0.84 CHEK1 (0.48) CHEK1KMT2AHASPINCCNT1CDK9
SCHEMBL5092811 0.84 CHEK1 (0.48) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5089664 0.83 CHEK1 (0.47) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5092934 0.83 CHEK1 (0.47) CHEK1KMT2AHASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5089672 0.83 CHEK1 (0.47) CHEK1KMT2AHASPINCCNT1CDK9

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 251/4885KMT2A 1112/4885HASPIN 1268/4885

“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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