SCHEMBL16499765

SCHEMBL16499765

Cn1c(C(F)(F)F)nc2c(Cl)nc(Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL31656612 0.78 CYP1A2 (0.36) CYP1A2GLAPDE4APDE4BPDE4C
SCHEMBL788659 0.76 PIK3CD (0.42) CYP1A2GLAPDE4APDE4BPDE4C
SCHEMBL31625100 0.75 KDM4E (0.38) CDK1KDM4EJAK2ALDH1A1LMNA
SCHEMBL15600397 0.75 KDM4E (0.38) CDK1KDM4EJAK2ALDH1A1LMNA
SCHEMBL38656749 0.72 CDK1 (0.33) CDK1KDM4EJAK2ALDH1A1LMNA
SCHEMBL28979019 0.69 KMT2A (0.35) CDK1KDM4EJAK2ALDH1A1LMNA
SCHEMBL17378551 0.67 CYP1A2 (0.40) CYP1A2GLAPDE4APDE4BPDE4C
SCHEMBL20508684 0.63 CYP11B1 (0.37) CYP1A2GLAPDE4APDE4BPDE4C
SCHEMBL183035 0.60 CDK1 (0.68) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL29426225 0.60 CDK1 (0.68) PDE4APDE4BPDE4CPDE4DCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 — — EP disclosed
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 — — EP disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 — — US disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 — — US disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 — — US disclosed
CN-104284895-B Nitrogenous dicyclic aromatic heterocyclic compounds 安斯泰来制药株式会社 2016-08-31 — — CN disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 — — US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 — — US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 — — US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 — — US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 — — US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 — — US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 — — US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 — — US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 — — US disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 — — EP disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 — — EP disclosed
CN-104284895-A Nitrogenated bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC 2015-01-14 — — CN 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-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB CYP1A2 2534/4885GLA 254/4885PDE4A 4215/4885
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB CYP1A2 2358/4885GLA 233/4885PDE4A 3950/4885

“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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