SCHEMBL720184

SCHEMBL720184

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(-c4ccc(OC)nc4)cc3c2C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.42
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.38
RCE1 Q9Y256 1/20 0.38
PIK3CA P42336 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KMT2A Q03164 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
SCHEMBL719610 0.93 BTK (0.44) BTKTAAR1MAPTRCE1PIK3CA
SCHEMBL717472 0.86 BTK (0.40) BTKTAAR1MAPTRCE1PIK3CA
SCHEMBL2669953 0.86 BTK (0.41) BTKTAAR1MAPTRCE1PIK3CA
SCHEMBL716917 0.85 HDAC3 (0.37) BTKHDAC1HDAC6HDAC3HDAC2
SCHEMBL717838 0.83 HIF1A (0.37) MAPTKMT2A
SCHEMBL721739 0.82 NPC1 (0.40) MAPTKMT2A
SCHEMBL719283 0.82 SCN9A (0.41)
SCHEMBL721410 0.81 KMT2A (0.33) KMT2A
SCHEMBL719948 0.80 CASP3 (0.41) MAPT
SCHEMBL719190 0.80 KMT2A (0.47) KMT2A

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP BTK 3094/4885TAAR1 2772/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP BTK 3094/4885TAAR1 2772/4885MAPT 4533/4885

“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.