SCHEMBL20964573

SCHEMBL20964573

CC(C)C(=O)NCCNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.57
▸ PRKAG1 P54619 1/20 0.57
▸ PRKAA2 P54646 1/20 0.57
▸ PRKAA1 Q13131 1/20 0.57
▸ PRKAG3 Q9UGI9 1/20 0.57
▸ PRKAG2 Q9UGJ0 1/20 0.57
▸ PRKAB1 Q9Y478 1/20 0.57
▸ GAA P10253 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ DPP4 P27487 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ PTGES O14684 3/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ NPY5R Q15761 1/20 0.41

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
SCHEMBL25056983 0.85 PRKAB2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9893012 0.80 RAB9A (0.57) GAAPOLBRAB9ANPC1PTGS1
SCHEMBL6639023 0.77 HCAR3 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6642675 0.76 LMNA (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20964629 0.76 SMN1; SMN2 (0.69) GAAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL6638569 0.76 RAB9A (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6637382 0.76 PRKAB2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1078698 0.75 RAB9A (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3601165 0.75 RAB9A (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6642910 0.73 POLB (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 — — US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 — — 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 (2 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 PRKAB2 4178/4885PRKAG1 4083/4885PRKAA2 3687/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 PRKAB2 4833/4885PRKAG1 4561/4885PRKAA2 3116/4885

“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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