SCHEMBL17040353

SCHEMBL17040353

CC(C)C(=O)NC(C)c1cnn(-c2ccccc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
SCN9A Q15858 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNT1 Q5JUK3 1/20 0.38
CFTR P13569 4/20 0.37
DYRK1B Q9Y463 2/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL17037434 0.90 RAB9A (0.43) RAB9ASCN9AMEN1KMT2AALDH1A1
SCHEMBL3109976 0.79 ROCK1 (0.60) RAB9ADYRK1B
SCHEMBL14947693 0.78 GRM4 (0.43) RAB9ACFTRDYRK1BGRM4
SCHEMBL18878391 0.78 GRM4 (0.45) CFTRDYRK1BGRM4
SCHEMBL14947692 0.76 GRM4 (0.43) CFTRDYRK1BGRM4
SCHEMBL17149799 0.74 MEN1 (0.48) MEN1KMT2A
SCHEMBL20282465 0.73 CFTR (0.44) CFTRDYRK1BGRM4
SCHEMBL14947683 0.72 PLK1 (0.44) MEN1KMT2ACFTRDYRK1BGRM4
SCHEMBL20163069 0.72 CFTR (0.43) SCN9AMEN1KMT2ACFTRDYRK1B
SCHEMBL30036869 0.72 CFTR (0.43) SCN9AMEN1KMT2ACFTRDYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 RAB9A 3861/4885SCN9A 3990/4885MEN1 4787/4885

“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.