SCHEMBL14764247

SCHEMBL14764247

Nc1cnn([C@H]2CC[C@H](O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
LRRK2 Q5S007 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ACHE P22303 3/20 0.37
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
AURKB Q96GD4 5/20 0.35
MAP3K7 O43318 5/20 0.35
TAB1 Q15750 5/20 0.35
KDR P35968 3/20 0.35
RET P07949 2/20 0.35
CDC7 O00311 1/20 0.34
PLK4 O00444 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
SCHEMBL14764120 1.00 KDM5A (0.39) KDM5ALRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL14764038 1.00 KDM5A (0.39) KDM5ALRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL173506 0.90
SCHEMBL16513526 0.89 KDM5A (0.38) KDM5ALRRK2PIK3CAPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL25243994 0.88 PIK3CD (0.41) KDM5APIK3CAPIK3CDPIK3CBPI4KA
Hydrochloric Acid SCHEMBL31507950 0.88 PIK3CD (0.41) KDM5APIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL28159841 0.83 PIK3CD (0.38) KDM5APIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL16764416 0.82 ACHE (0.47) KDM5APIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL1703023 0.82 ACHE (0.44) KDM5ALRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL15197725 0.81 KDM5A (0.39) KDM5APIK3CAPIK3CDPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2023-01-26 US disclosed
CN-115087656-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-20 CN disclosed
EP-4041728-A1 ATF6 MODULATORS AND USES THEREOF Praxis Biotech LLC (US) 2022-08-17 EP disclosed
WO-2021069721-A1 ATF6 MODULATORS AND USES THEREOF BLACK BELT TX LTD (GB) 2021-04-15 WO disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 WO disclosed
US-8969335-B2 Benzonitrile derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-03 US disclosed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 WO 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-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 KDM5A 1333/4885LRRK2 1283/4885PIK3CA 73/4885
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS TBK1, NFKBIA, IKBKG KDM5A 1773/4885LRRK2 388/4885PIK3CA 667/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 KDM5A 1333/4885LRRK2 1283/4885PIK3CA 73/4885
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ATF4, XBP1, ATF1 KDM5A 4815/4885LRRK2 1111/4885PIK3CA 1513/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 KDM5A 1377/4885LRRK2 1329/4885PIK3CA 71/4885

“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.