SCHEMBL18075426

SCHEMBL18075426

COc1ncccc1-c1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ CHRNA7 P36544 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ APLNR P35414 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL18074955 0.81 KDM4E (0.36) RAB9AFEN1KDM4ENPC1L3MBTL1
SCHEMBL14096925 0.81 ALOX5AP (0.49) BTKRAB9AALOX5APFEN1KDM4E
SCHEMBL15674574 0.78 DHODH (0.47) BTKRAB9AALOX5APFEN1KDM4E
SCHEMBL20406251 0.78 BTK (0.53) BTKRAB9AALOX5APFEN1KDM4E
SCHEMBL8344758 0.75 MAPT (0.43) BTKRAB9AALOX5APFEN1KDM4E
SCHEMBL30592000 0.71 IDH1 (0.41) KDM4EALDH1A1IDH1MEN1POLB
SCHEMBL29501242 0.71 LOXL2 (0.47) BTKRAB9AALOX5APFEN1NPC1
SCHEMBL15676581 0.71 LOXL2 (0.47) BTKRAB9AALOX5APFEN1NPC1
SCHEMBL21384169 0.71 IDH1 (0.41) KDM4EALDH1A1IDH1MEN1POLB
SCHEMBL20361584 0.71 HRH4 (0.45) BTKRAB9AALOX5APFEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 — — CN disclosed
EP-3271350-B1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES FMC CORP (US) 2022-05-25 — — EP disclosed
US-11006631-B2 Substituted pyrimidinyloxy pyridine derivatives as herbicides FMC CORPORATION (US) 2021-05-18 — — US disclosed
US-20180020664-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES FMC CORPORATION 2018-01-25 — — US disclosed
EP-3271350-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-01-24 — — EP disclosed
WO-2016149315-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-22 — — 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 (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-11006631-B2 Substituted pyrimidinyloxy pyridine derivatives as herbicides DDT, CNPY2, NOX4 BTK 980/4885RAB9A 2073/4885ALOX5AP 1441/4885
US-20180020664-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES DDT, CNPY2, NOX4 BTK 980/4885RAB9A 2073/4885ALOX5AP 1441/4885

“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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