SCHEMBL19207864

SCHEMBL19207864

O=C(COc1cccnc1Br)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.46
MAPT P10636 6/20 0.38
RAB9A P51151 5/20 0.38
POLB P06746 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 2/20 0.38
S1PR4 O95977 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
ROCK1 Q13464 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL29415689 1.00 GRM4 (0.46) GRM4MAPTRAB9APOLBSMN1; SMN2
SCHEMBL5429041 0.76 L3MBTL1 (0.51) GRM4POLBSMN1; SMN2S1PR4TDP1
SCHEMBL7402248 0.75 ALOX15 (0.50) MAPTRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL1805294 0.74 KDM4E (0.51) GRM4MAPTRAB9APOLBSMN1; SMN2
SCHEMBL2716230 0.74 KMT2A (0.47) GRM4MAPTRAB9APOLBSMN1; SMN2
SCHEMBL30911901 0.73 MAPT (0.57) GRM4MAPTRAB9ASMN1; SMN2S1PR4
SCHEMBL14841282 0.73 GRM4 (0.47) GRM4MAPTPOLBSMN1; SMN2S1PR4
SCHEMBL2423520 0.71 NPC1 (0.45) RAB9ASMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL10466524 0.69 TSHR (0.56) GRM4RAB9ATDP1ALDH1A1NPC1
SCHEMBL2421709 0.69 KMT2A (0.42) MAPTRAB9APOLBKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GRM4 3294/4885MAPT 1843/4885RAB9A 2053/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GRM4 3294/4885MAPT 1843/4885RAB9A 2053/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GRM4 3294/4885MAPT 1843/4885RAB9A 2053/4885

“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.