SCHEMBL20166686

SCHEMBL20166686

COC(=O)c1cccc2cn(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 2/20 0.46
GAA P10253 1/20 0.46
ADCY10 Q96PN6 1/20 0.45
MAPT P10636 2/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NR4A2 P43354 1/20 0.42
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
PARP3 Q9Y6F1 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
TOP2A P11388 2/20 0.40
RIPK1 Q13546 2/20 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
SCHEMBL18937237 0.83 KMT2A (0.45) KDM4EKMT2AATMGAAMAPT
SCHEMBL27171015 0.82 PARP1 (0.44) KMT2APARP1PARP2PARP3BRD4
SCHEMBL2267396 0.82 PARP1 (0.48) KDM4ELMNANR4A2PARP1PARP2
SCHEMBL16329978 0.81 PARP1 (0.61) PARP1PARP2PARP3
SCHEMBL25153636 0.81 KDM4E (0.50) KDM4EKMT2AATMGAAMAPT
SCHEMBL20167198 0.80 PARP1 (0.44) KMT2AGAAMAPTPARP1PARP2
SCHEMBL1422526 0.80 PARP1 (0.68) KMT2AMAPTPARP1PARP2PARP3
SCHEMBL23514481 0.78 JAK2 (0.49) KDM4EKMT2AATMGAAADCY10
SCHEMBL26664268 0.76 L3MBTL1 (0.38) GAAADCY10LMNANR4A2ALDH1A1
SCHEMBL2265110 0.76 PARP1 (0.71) KMT2AMAPTPARP1PARP2PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541810-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R KDM4E 4276/4885KMT2A 3930/4885ATM 1774/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R KDM4E 4398/4885KMT2A 3480/4885ATM 2047/4885
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD KDM4E 1609/4885KMT2A 2894/4885ATM 4013/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R KDM4E 4276/4885KMT2A 3930/4885ATM 1774/4885

“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.