Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5092686

CC1CC(C)CN(C2=N/C(=C\c3c[nH]c4ncccc34)C(=O)N2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.40
▸ CDC7 O00311 6/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HASPIN Q8TF76 4/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ 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
▸ JAK3 P52333 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL5089771 0.86 PIM1 (0.42) CHEK1CDC7KMT2AHASPINCCNT1
Trifluoroacetic Acid SCHEMBL4767358 0.84 CHEK1 (0.40) CHEK1CDC7KMT2AHASPINCCNT1
Trifluoroacetic Acid SCHEMBL5092991 0.83 PBK (0.44) CHEK1CDC7HASPINCCNT1CDK9
Hydrochloric Acid SCHEMBL5094672 0.82 KDM4E (0.50) CHEK1CDC7KMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5094692 0.82 KDM4E (0.50) CHEK1CDC7KMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5089699 0.81 CHEK1 (0.44) CHEK1CDC7KMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5089709 0.81 CHEK1 (0.44) CHEK1CDC7KMT2AHASPINCCNT1
Trifluoroacetic Acid SCHEMBL5095358 0.80 CDC7 (0.36) CHEK1CDC7HASPINCCNT1CDK9
Trifluoroacetic Acid SCHEMBL5089686 0.80 CDC7 (0.36) CHEK1CDC7HASPINCCNT1CDK9
SCHEMBL5089794 0.79 CHEK1 (0.50) CHEK1CDC7KMT2AHASPINCCNT1

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 251/4885CDC7 128/4885KMT2A 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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