SCHEMBL10119968

SCHEMBL10119968

CC(C)C1CN(C(=O)C(C)(C)O)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
JAK1 P23458 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PDK2 Q15119 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL17172975 0.87 MEN1 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24023240 0.86
SCHEMBL10119966 0.83 DPP4 (0.39)
SCHEMBL10119983 0.83
SCHEMBL14147181 0.83 JAK1 (0.32) FASNJAK1
SCHEMBL24258706 0.81 EPHX1 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23777011 0.80 RIPK1 (0.30)
SCHEMBL10119977 0.80 RIPK1 (0.33)
SCHEMBL2603236 0.79 NAMPT (0.39) FASNALDH1A1CYP2D6KCNH2HRH3
SCHEMBL10140407 0.77 FASN (0.35) FASNCHRNB2CHRNA4JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2023-04-20 US disclosed
EP-3227297-B1 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-20 EP disclosed
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2020-10-15 US disclosed
US-10730880-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-08-04 US disclosed
US-10646492-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2020-05-12 US disclosed
US-20190298724-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-10-03 US disclosed
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 US disclosed
US-9199982-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-12-01 US disclosed
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER (US) 2015-10-15 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
EP-2815750-A1 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-12-24 EP disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (12 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-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-10730880-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors JAK1, JAK3, JAK2 FASN 4275/4885CHRNB2 4867/4885CHRNA3 4736/4885
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 FASN 3722/4885CHRNB2 3948/4885CHRNA3 2964/4885
US-11819505-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-10646492-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-20160022685-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-20190298724-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES DPYD, TPD52L2, DTYMK FASN 4371/4885CHRNB2 4873/4885CHRNA3 4876/4885
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG FASN 1640/4885CHRNB2 1834/4885CHRNA3 1144/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB FASN 3283/4885CHRNB2 4577/4885CHRNA3 3899/4885

“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.