SCHEMBL19646367

SCHEMBL19646367

CNC(=O)c1cc(C(C)C)[nH]n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.66
HCAR2 Q8TDS4 1/20 0.66
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
KDM5A P29375 7/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
CCNA2 P20248 1/20 0.46

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
SCHEMBL26450032 0.88 HCAR3 (0.50) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL21401431 0.84 HCAR3 (0.64) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL21401472 0.81 HCAR3 (0.60) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL15253861 0.81 HCAR3 (0.75) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL15116888 0.79 HCAR3 (0.72) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL1739326 0.79 HCAR2 (1.00) HCAR3HCAR2NPC1RAB9ALMNA
SCHEMBL31088685 0.79 HCAR3 (0.66) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL19924463 0.78 HCAR3 (0.70) HCAR3HCAR2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL31467457 0.78 HCAR2 (0.96) HCAR3HCAR2NPC1RAB9ALMNA
SCHEMBL26784594 0.78 HCAR3 (0.59) HCAR3HCAR2NPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725005-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-10906896-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2021-02-02 US disclosed
US-20200031819-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-01-30 US disclosed
US-10344027-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2019-07-09 US disclosed
US-10316031-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
US-20190119266-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2019-04-25 US disclosed
US-20190055234-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2019-02-21 US disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 US disclosed
US-9828370-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2017-11-28 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 (8 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-10316031-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885
US-10344027-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885
US-20190119266-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885
US-20190055234-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885
US-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 HCAR3 1155/4885HCAR2 2251/4885NPC1 158/4885
US-20200031819-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885
US-10906896-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885
US-11725005-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 HCAR3 3241/4885HCAR2 4221/4885NPC1 3013/4885

“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.