SCHEMBL13552125

SCHEMBL13552125

CC(C)(C)c1ccc2c(C(N)=O)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.50
▸ TYK2 P29597 2/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.49
▸ GSK3B P49841 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KIF11 P52732 4/20 0.43
▸ CHEK1 O14757 2/20 0.42
▸ PRKAA1 Q13131 4/20 0.41
▸ PRKAB2 O43741 3/20 0.41
▸ PRKAG1 P54619 3/20 0.41
▸ PRKAA2 P54646 3/20 0.41
▸ PRKAG3 Q9UGI9 3/20 0.41
▸ PRKAG2 Q9UGJ0 3/20 0.41
▸ PRKAB1 Q9Y478 3/20 0.41
▸ SCN10A Q9Y5Y9 3/20 0.41
▸ MAP2K4 P45985 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPK6 Q16659 1/20 0.40

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
SCHEMBL23029783 0.86 PRKAG1 (0.54) GSK3BKIF11PRKAA1PRKAB2PRKAG1
SCHEMBL14346062 0.85 LRRK2 (0.47) JAK2TYK2JAK3JAK1LRRK2
SCHEMBL11916132 0.82 KDM4E (0.60) GSK3BSMN1; SMN2KIF11CHEK1PRKAA1
SCHEMBL11911445 0.80 JAK2 (0.55) JAK2TYK2JAK3JAK1LRRK2
SCHEMBL15541582 0.80 JAK2 (0.53) JAK2TYK2JAK3JAK1MAP2K4
SCHEMBL15077179 0.79 KDM4E (0.63) GSK3BSMN1; SMN2KIF11MAPK1
SCHEMBL28258656 0.79 CHEK1 (0.53) JAK2TYK2JAK3JAK1CHEK1
SCHEMBL8877902 0.78 JAK1 (0.65) JAK2TYK2JAK3JAK1GSK3B
SCHEMBL84515 0.77 PDPK1 (0.55) JAK2TYK2JAK3GSK3BKIF11
SCHEMBL16252829 0.76 MAP2K4 (0.52) JAK2TYK2JAK3JAK1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 — — US disclosed
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-04-23 — — US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 — — US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 — — US disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 — — 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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 JAK2 1871/4885TYK2 4262/4885JAK3 3792/4885
US-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 JAK2 1871/4885TYK2 4262/4885JAK3 3792/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 JAK2 1917/4885TYK2 4259/4885JAK3 3848/4885
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 JAK2 1917/4885TYK2 4259/4885JAK3 3848/4885

“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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