SCHEMBL4768516

SCHEMBL4768516

COCCCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP2A6 P11509 1/20 0.59
HRH1 P35367 2/20 0.56
CHRNA7 P36544 3/20 0.53
TBXAS1 P24557 6/20 0.51
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL2091732 0.95 TDP1 (0.66) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL2092004 0.93 TDP1 (0.64) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL273379 0.89 CHRNA7 (0.57) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL14524266 0.82 TDP1 (0.64) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL29485677 0.82 CYP2A6 (0.76) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL29485675 0.82 TDP1 (0.80) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL724788 0.82 TDP1 (0.80) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL2843094 0.82 CYP2A6 (0.76) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL14499025 0.81 TDP1 (0.57) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL14498994 0.81 L3MBTL1 (0.57) TDP1L3MBTL1CYP2A6HRH1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP disclosed
CN-102596961-B Imidazo [1,2-b] pyridazine derivatives and the purposes as PDE10 inhibitor thereof JANSSEN PHARMACEUTICA N.V. (BE) 2015-12-02 CN disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010053182-A1 KYNURENINE PRODUCTION INHIBITOR 協和発酵キリン株式会社 (JP) 2010-05-14 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TDP1 1197/4885L3MBTL1 4124/4885CYP2A6 3068/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TDP1 326/4885L3MBTL1 2776/4885CYP2A6 3523/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 TDP1 2717/4885L3MBTL1 631/4885CYP2A6 478/4885

“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.