SCHEMBL679559

SCHEMBL679559

CC(C)(C)N1CCCOCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL20781365 0.95 ALDH1A1 (0.37) PDK1PDK2PDK3ALDH1A1SMN1; SMN2
SCHEMBL4471161 0.89 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL85406 0.89 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL16219454 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL24590134 0.87 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL23084144 0.87 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL409231 0.87 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL408923 0.87 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1RECQL
SCHEMBL24995560 0.85 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL19651873 0.81 PDK1 (0.32) PDK1PDK2PDK3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-30 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-10 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 US disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 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 (11 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-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A PDK1 1942/4885PDK2 1953/4885PDK3 2112/4885
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES TYMP, DPYD, TYMS PDK1 405/4885PDK2 169/4885PDK3 443/4885
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 PDK1 196/4885PDK2 95/4885PDK3 113/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDK1 178/4885PDK2 524/4885PDK3 508/4885
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 PDK1 738/4885PDK2 2299/4885PDK3 1974/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 PDK1 669/4885PDK2 1792/4885PDK3 1438/4885
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 PDK1 8/4885PDK2 11/4885PDK3 22/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT PDK1 1159/4885PDK2 726/4885PDK3 1080/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 PDK1 274/4885PDK2 726/4885PDK3 713/4885
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP7, MMP9 PDK1 2696/4885PDK2 3174/4885PDK3 3342/4885
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides FAP, PREP, CTRL PDK1 3335/4885PDK2 2365/4885PDK3 2933/4885

“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.