SCHEMBL18896161

SCHEMBL18896161

CC(C)NC(=O)c1cn(C)nn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PSMB8 P28062 6/20 0.41
PSMB5 P28074 6/20 0.41
PSMB9 P28065 3/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 1/20 0.40
GLS O94925 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
MLLT1 Q03111 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL9914066 0.80 KDM4C (0.42) KDM4E
SCHEMBL15004553 0.79 BAZ2B (0.46) KDM4ENPC1RAB9AIDO1TSHR
SCHEMBL11628062 0.79 IDO1 (0.38) IDO1GLS
SCHEMBL21210621 0.78 PSMB8 (0.39) PSMB8PSMB5PSMB9NPC1RAB9A
SCHEMBL22518496 0.78 P2RX7 (0.46) KDM4ENPC1IDO1GLSMAPT
SCHEMBL26333021 0.78 IDO1 (0.39) KDM4EIDO1GLSSMN1; SMN2
SCHEMBL25514751 0.77 PSMB8 (0.43) PSMB8PSMB5PSMB9TSHRGLS
SCHEMBL24790201 0.77 KDM4E (0.44) KDM4EPSMB8PSMB5PSMB9IDO1
SCHEMBL6993119 0.76 IDO1 (0.38) IDO1GLSSMN1; SMN2ALDH1A1
SCHEMBL23172326 0.76 IDO1 (0.35) PSMB8PSMB5PSMB9IDO1GLS

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
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-20190314346-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 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 (3 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-20190314346-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 KDM4E 1993/4885PSMB8 3164/4885PSMB5 2922/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 KDM4E 1993/4885PSMB8 3164/4885PSMB5 2922/4885
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 KDM4E 1993/4885PSMB8 3164/4885PSMB5 2922/4885

“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.