SCHEMBL5094471

SCHEMBL5094471

CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC1(OC(=O)C(F)(F)F)NC(=O)C(=Cc2c[nH]c3ncccc23)N1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ CDC7 O00311 4/20 0.34
▸ TRPV1 Q8NER1 4/20 0.33
▸ HASPIN Q8TF76 3/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33

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
SCHEMBL5092907 0.83 RET (0.38) CNR2CHEK1CDC7HASPINCCNT1
Hydrochloric Acid SCHEMBL5092758 0.82 HTR3A (0.36) CHEK1CDC7HASPINCHEK2CDK1
Hydrochloric Acid SCHEMBL5101125 0.81 CDC7 (0.36) CHEK1CDC7HASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5095503 0.81 CDC7 (0.36) CHEK1CDC7HASPINCCNT1CDK9
Trifluoroacetic Acid SCHEMBL5094466 0.76 CHEK1 (0.35) CNR1CNR2CHEK1CDC7TRPV1
Trifluoroacetic Acid SCHEMBL5094477 0.76 CHEK1 (0.35) CNR1CNR2CHEK1CDC7TRPV1
SCHEMBL5089778 0.75 HASPIN (0.41) CHEK1CDC7HASPINCCNT1CDK9
SCHEMBL5092742 0.75 CHEK1 (0.39) CHEK1CDC7HASPINCCNT1CDK9
SCHEMBL5095372 0.72 NTRK1 (0.38) CHEK1CDC7HASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5089590 0.71 CDC7 (0.37) CHEK1CDC7HASPINCCNT1CDK9

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 CNR1 3183/4885CNR2 3505/4885CHEK1 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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