SCHEMBL17037447

SCHEMBL17037447

Cc1onc(-c2ccccc2)c1CNC(=O)C(C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
MAPT P10636 2/20 0.55
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
GABRA5 P31644 9/20 0.53
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
HDAC2 Q92769 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.49

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
SCHEMBL17040356 0.90 ALDH1A1 (0.67) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL13870636 0.81 ALDH1A1 (0.77) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL9494566 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL14438335 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL10310317 0.76 ALDH1A1 (0.63) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL13062073 0.75 CA12 (0.54) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL27495332 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTPLA2G1BATG4B
SCHEMBL2219161 0.74 ALDH1A1 (0.55) ALDH1A1KDM4ETHRBMAPTPLA2G1B
SCHEMBL5018927 0.72 PTGS1 (0.54) ALDH1A1NPSR1GABRA5PKM
SCHEMBL107436 0.72 PTGS1 (0.58) ALDH1A1KDM4EMAPTNPSR1GABRA5

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 3 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-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 ALDH1A1 3298/4885KDM4E 1537/4885THRB 614/4885

“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.