SCHEMBL21376427

SCHEMBL21376427

COc1nc[nH]c(=O)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.38
ALDH1A1 P00352 4/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SRC P12931 2/20 0.36
POLB P06746 2/20 0.35
ABL1 P00519 1/20 0.35
KMT2A Q03164 1/20 0.35
RIN1 Q13671 1/20 0.35
HPGD P15428 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
EGFR P00533 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
XDH P47989 1/20 0.34
NR1H2 P55055 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL8199925 0.76 ALDH1A1 (0.40) PDPK1ALDH1A1POLBKMT2AHPGD
SCHEMBL27407442 0.74 ALDH1A1 (0.39) PDPK1ALDH1A1POLBABL1HPGD
SCHEMBL20180773 0.74 PDPK1 (0.43) PDPK1ALDH1A1SRCABL1KMT2A
SCHEMBL19425815 0.70 PDPK1 (0.41) PDPK1ALDH1A1KMT2AHPGDNPC1
SCHEMBL23583914 0.69 HPGD (0.46) PDPK1ALDH1A1SRCABL1KMT2A
SCHEMBL26550999 0.69 PARP1 (0.43) PDPK1ALDH1A1PDE3BPDE3ASRC
SCHEMBL19845887 0.65 CDK1 (0.35)
SCHEMBL20869412 0.65 PDE3B (0.44) ALDH1A1PDE3BPDE3APOLBKMT2A
SCHEMBL17163985 0.65 KDM5B (0.55) ABL1KDM5BALK
SCHEMBL12138874 0.64 ALDH1A1 (0.40) PDPK1ALDH1A1SRCABL1KMT2A

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-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R PDPK1 284/4885ALDH1A1 2110/4885PDE3B 645/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R PDPK1 284/4885ALDH1A1 2110/4885PDE3B 645/4885

“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.