SCHEMBL1553790

SCHEMBL1553790

CC(C)C(=O)Nc1cc(Br)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RIOK2 Q9BVS4 2/20 0.47
MAPT P10636 5/20 0.45
GSK3B P49841 5/20 0.45
ACVRL1 P37023 1/20 0.45
NTRK1 P04629 1/20 0.45
SORT1 Q99523 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GPR35 Q9HC97 1/20 0.43
BRAF P15056 1/20 0.43
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL19728666 0.81 TYK2 (0.53) TYK2SMN1; SMN2NPC1RAB9ARIOK2
SCHEMBL23212152 0.81 TYK2 (0.57) TYK2SMN1; SMN2NPC1RAB9ARIOK2
SCHEMBL19699534 0.81 MAPT (0.59) TYK2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL29899021 0.81 L3MBTL1 (0.55) TYK2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL355579 0.81 L3MBTL1 (0.55) TYK2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL15627415 0.80 TYK2 (0.52) TYK2SMN1; SMN2NPC1RAB9ARIOK2
SCHEMBL28809964 0.80 TYK2 (0.59) TYK2SMN1; SMN2NPC1RAB9ARIOK2
SCHEMBL23445931 0.80 TYK2 (0.56) TYK2SMN1; SMN2NPC1RAB9ARIOK2
Ammonia Solution, Strong SCHEMBL28494689 0.79 L3MBTL1 (0.53) TYK2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL477127 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AL3MBTL1RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263832-A1 E3 LIGASE BINDERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
CN-102834387-A Phenylpyri(mi)dinylpyrazoles and their use as fungicides BAYER CROPSCIENCE AG 2012-12-19 CN disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 EP disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
WO-2011042389-A2 PHENYLPYRI(MI)DINYLAZOLES BAYER CROPSCIENCE AG (DE) 2011-04-14 WO disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN TYK2 1729/4885SMN1; SMN2 4583/4885NPC1 3221/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN TYK2 1729/4885SMN1; SMN2 4583/4885NPC1 3221/4885

“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.