Sugi Predict

Sugi Predict / Compounds / SCHEMBL17522200

SCHEMBL17522200

SCHEMBL17522200

C=CC(=O)NC1COCC1NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ FGFR4 P22455 14/20 0.37
▸ FGFR1 P11362 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FGFR2 P21802 6/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TEAD1 P28347 1/20 0.30

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
SCHEMBL17522183 1.00 TSHR (0.41) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL18897315 0.84 FGFR4 (0.37) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL16123034 0.83 FGFR4 (0.37) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL18897275 0.83 FGFR4 (0.38) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL17524687 0.82 FGFR4 (0.40) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL17524681 0.82 FGFR4 (0.40) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL21166512 0.82 FGFR4 (0.36) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL18897316 0.82 FGFR4 (0.36) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL18897411 0.82 FGFR4 (0.34) TSHRFGFR4FGFR1CYP3A4CYP2C9
SCHEMBL17371293 0.81 FGFR4 (0.39) TSHRFGFR4FGFR1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885FGFR4 1590/4885FGFR1 1733/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885FGFR4 1590/4885FGFR1 1733/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885FGFR4 1590/4885FGFR1 1733/4885

“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.