SCHEMBL379808

SCHEMBL379808

O=C(Nc1ccccc1)c1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.60
CYP2C9 P11712 3/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
DNMT1 P26358 2/20 0.56
DNMT3A Q9Y6K1 2/20 0.56
DNMT3L Q9UJW3 1/20 0.56
ACLY P53396 1/20 0.55
NSD2 O96028 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NR2E1 Q9Y466 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PRKCI P41743 1/20 0.53
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL7784318 0.88 DNMT1 (0.65) CYP3A4CYP2C9USP2HTTL3MBTL1
SCHEMBL4601893 0.81 GRM4 (0.62) TDP1MEN1KMT2AALDH1A1GAA
SCHEMBL7082250 0.81 NAMPT (0.51) CYP3A4USP2HTTL3MBTL1DNMT1
SCHEMBL7479594 0.81 CYP2C9 (0.62) CYP3A4CYP2C9L3MBTL1DNMT1DNMT3A
SCHEMBL27519785 0.81 ITGB1 (0.61) CYP3A4CYP2C9DNMT1DNMT3ADNMT3L
SCHEMBL6626851 0.81 ITGB1 (0.61) CYP3A4CYP2C9DNMT1DNMT3ADNMT3L
SCHEMBL804472 0.81 CYP3A4 (0.50) CYP3A4L3MBTL1DNMT1DNMT3ADNMT3L
SCHEMBL8573837 0.80 NSD2 (0.56) NSD2NR2E1
SCHEMBL5603305 0.80 NSD2 (0.56) NSD2ALDH1A1GAA
SCHEMBL29375172 0.79 KDM4E (0.56) L3MBTL1NSD2TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350240-A 4-Quinoline anilines main protease inhibitor and preparation method and medical application thereof 河南师范大学 2025-01-24 CN claimed
WO-2026022286-A1 N-PHENYL-QUINOLINE-4-CARBOXAMIDE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Institut National de la Santé et de la Recherche Médicale (FR) 2026-01-29 WO disclosed
CN-119350240-A 4-Quinoline anilines main protease inhibitor and preparation method and medical application thereof 河南师范大学 2025-01-24 CN disclosed
US-10633369-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2020-04-28 US disclosed
US-20180201606-A1 METHOD OF INHIBITING DYRK1B 4 SC AG (DE) 2018-07-19 US disclosed
US-9951050-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2018-04-24 US disclosed
US-20140371251-A1 METHOD OF INHIBITING DYRK1B 4SC DISCOVERY GMBH (DE) 2014-12-18 US disclosed
EP-2408766-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 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-10633369-B2 Method of inhibiting DYRK1B SMO, GLI1, GRK2 CYP3A4 4854/4885CYP2C9 4856/4885USP2 1790/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CYP3A4 284/4885CYP2C9 1178/4885USP2 3448/4885
US-20180201606-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 CYP3A4 4854/4885CYP2C9 4856/4885USP2 1790/4885
US-20140371251-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 CYP3A4 4854/4885CYP2C9 4856/4885USP2 1790/4885

“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.