SCHEMBL19224705

SCHEMBL19224705

COC(=O)c1cnn(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RIPK1 Q13546 1/20 0.44
MAPK8 P45983 1/20 0.43
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL17610703 0.86 ALDH1A1 (0.56) CYP1A2SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL19228569 0.86 CACNA1H (0.41) CYP1A2SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL31075191 0.84 KLKB1 (0.47) MEN1KMT2A
SCHEMBL17610724 0.83 CYP19A1 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL17885358 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MAPT
SCHEMBL1412434 0.78 MAPK1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5656055 0.75 KCNA5 (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL31075280 0.75 CACNA1H (0.42) MEN1KMT2AMAPT
SCHEMBL18367351 0.75 KMT2A (0.71) CYP1A2SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL17162269 0.74 UCHL1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
US-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
CN-107074822-B Triazole compounds as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US 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-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-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
CN-107074822-A It is used as the triazole compounds of T-shaped calcium channel blocker 埃科特莱茵药品有限公司 2017-08-18 CN 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 (5 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 AR 852/4885CYP1A2 3682/4885SMN1; SMN2 2486/4885
US-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB AR 852/4885CYP1A2 3682/4885SMN1; SMN2 2486/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB AR 852/4885CYP1A2 3682/4885SMN1; SMN2 2486/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB AR 852/4885CYP1A2 3682/4885SMN1; SMN2 2486/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB AR 852/4885CYP1A2 3682/4885SMN1; SMN2 2486/4885

“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.