SCHEMBL9921671

SCHEMBL9921671

CC1CCN(C(=O)CC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DPP4 P27487 3/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ FAAH O00519 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ LIPE Q05469 1/20 0.36

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
SCHEMBL9921669 1.00 ALDH1A1 (0.50) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL20692579 1.00 ALDH1A1 (0.50) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL11890311 0.89 ALDH1A1 (0.65) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL10146693 0.89 ALDH1A1 (0.60) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL22787206 0.84 ALDH1A1 (0.39) ALDH1A1LMNANPC1MEN1KMT2A
SCHEMBL2625511 0.81 DPP4 (0.49) DPP4DPP8DPP7FAAHLIPE
SCHEMBL16727322 0.81 DPP4 (0.49) ALDH1A1LMNANPC1DPP4DPP7
SCHEMBL11890329 0.81 DPP4 (0.49) ALDH1A1LMNANPC1DPP4DPP7
SCHEMBL2625514 0.81 DPP4 (0.49) DPP4DPP8DPP7FAAHLIPE
SCHEMBL12909929 0.81 DPP4 (0.49) DPP4DPP8DPP7FAAHLIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 — — US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 — — US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 — — US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 — — US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 — — US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 — — US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 — — US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 — — 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 (4 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885LMNA 4756/4885NPC1 3572/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885LMNA 4756/4885NPC1 3572/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885LMNA 4756/4885NPC1 3572/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885LMNA 4756/4885NPC1 3572/4885

“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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