SCHEMBL179446

SCHEMBL179446

CC(C)(C)c1cc(F)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ HRH4 Q9H3N8 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL18007575 0.84 HSD17B10 (0.72) HSD17B10HSP90AA1HSP90AB1HRH4KDM4E
SCHEMBL18879383 0.80 HSP90AA1 (0.39) HSD17B10HSP90AA1HSP90AB1KMT2AKDM4E
SCHEMBL22549255 0.78 HSD17B10 (0.41) HSD17B10HSP90AA1HSP90AB1HRH4KMT2A
SCHEMBL13449744 0.77 HSD17B10 (0.59) HSD17B10HSP90AA1HSP90AB1HRH4KDM4E
SCHEMBL15429553 0.76 HSP90AA1 (0.67) HSD17B10HSP90AA1HSP90AB1HRH4KDM4E
SCHEMBL26020405 0.76 HMGCR (0.37) HSD17B10KDM4E
SCHEMBL25530016 0.76 HSD17B10 (0.34) HSD17B10KDM4E
SCHEMBL1427693 0.75 — —
SCHEMBL29566785 0.74 HSD17B10 (0.55) HSD17B10HSP90AA1HSP90AB1HRH4KMT2A
SCHEMBL3188969 0.74 HSD17B10 (0.55) HSD17B10HSP90AA1HSP90AB1HRH4KDM4E

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 — — US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 — — US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 — — US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 — — US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 — — US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 — — US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 — — US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — 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 (15 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HSD17B10 1974/4885HSP90AA1 1770/4885HSP90AB1 1435/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA HSD17B10 3421/4885HSP90AA1 1367/4885HSP90AB1 1179/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A HSD17B10 3125/4885HSP90AA1 2546/4885HSP90AB1 2348/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD HSD17B10 1877/4885HSP90AA1 1600/4885HSP90AB1 1286/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HSD17B10 1927/4885HSP90AA1 1038/4885HSP90AB1 811/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA HSD17B10 3421/4885HSP90AA1 1367/4885HSP90AB1 1179/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HSD17B10 1974/4885HSP90AA1 1770/4885HSP90AB1 1435/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HSD17B10 1974/4885HSP90AA1 1770/4885HSP90AB1 1435/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A HSD17B10 3125/4885HSP90AA1 2546/4885HSP90AB1 2348/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A HSD17B10 2843/4885HSP90AA1 1409/4885HSP90AB1 1290/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A HSD17B10 3125/4885HSP90AA1 2546/4885HSP90AB1 2348/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HSD17B10 3019/4885HSP90AA1 1508/4885HSP90AB1 1043/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HSD17B10 2119/4885HSP90AA1 1153/4885HSP90AB1 780/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HSD17B10 1602/4885HSP90AA1 1264/4885HSP90AB1 880/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A HSD17B10 3125/4885HSP90AA1 2546/4885HSP90AB1 2348/4885

“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.

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