Sugi Predict

Sugi Predict / Compounds / SCHEMBL4887433

SCHEMBL4887433

SCHEMBL4887433

C[Si](C)(C)C#Cc1cc(C(=O)O)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 8/20 0.40
▸ GAA P10253 8/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ THRB P10828 3/20 0.40
▸ GFER P55789 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PLEC Q15149 1/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39

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
SCHEMBL4892525 0.83 KDM4E (0.50) LMNAKDM4EGAAMAPTHPGD
SCHEMBL28049639 0.79 RAB9A (0.43) LMNAKDM4EGAAMAPTHPGD
SCHEMBL4026182 0.74 CDC25B (0.50) CDC25BLMNAKDM4EGAAMAPT
SCHEMBL12225259 0.74 TDP1 (0.45) KDM4EMAPTALDH1A1THRBNPC1
SCHEMBL23589309 0.74 AKR1C3 (0.37) —
SCHEMBL7930623 0.73 XDH (0.49) LMNAKDM4EGAAHPGDALDH1A1
SCHEMBL14917306 0.73 CYP3A4 (0.43) LMNAGAAMAPTHPGDALDH1A1
SCHEMBL30250354 0.73 CYP3A4 (0.43) LMNAGAAMAPTHPGDALDH1A1
SCHEMBL2719393 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL6036758 0.72 RARB (0.55) HPGDALDH1A1SMN1; SMN2CA12CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005392-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI (FR) 2014-01-02 — — US disclosed
US-8546567-B2 Method for producing 2-(2-aminopyrimidin-4-yl)-1H-indole-5-carboxylic acid derivatives SANOFI (FR) 2013-10-01 — — US disclosed
US-20120271051-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI (FR) 2012-10-25 — — US disclosed
US-8232395-B2 ethyl 2-(2-chloropyrimidin-4-yl)-1H-indole-5-carboxylate; intermediates for preparing Ikb kinase inhibitors SANOFI (FR) 2012-07-31 — — US disclosed
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-04 — — 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 (3 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-20120271051-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 CDC25B 194/4885LMNA 3687/4885KDM4E 786/4885
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 CDC25B 316/4885LMNA 3767/4885KDM4E 698/4885
US-20140005392-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 CDC25B 194/4885LMNA 3687/4885KDM4E 786/4885

“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.