SCHEMBL621880

SCHEMBL621880

COc1ccc2nc(C)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NQO2 P16083 2/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
PDGFRB P09619 5/20 0.55
PDGFRA P16234 5/20 0.55
EGFR P00533 2/20 0.50
HPGDS O60760 3/20 0.49
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
F2 P00734 1/20 0.47
GLA P06280 1/20 0.47
MMP12 P39900 1/20 0.47
RAD52 P43351 1/20 0.45

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
SCHEMBL29991874 1.00 ALDH1A1 (0.56) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL14970152 0.93 ALDH1A1 (0.56) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL28035890 0.81 RAB9A (0.56) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL557973 0.80 NCF1 (0.59) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL558148 0.80 ALDH1A1 (0.55) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL13666129 0.80 ALDH1A1 (0.55) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL31033500 0.80 ALDH1A1 (0.55) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL21225586 0.80 PDE10A (0.46) MEN1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL10214298 0.78 MEN1 (0.87) ALDH1A1POLBKDM4ENQO2MEN1
SCHEMBL10219982 0.77 ALDH1A1 (0.51) ALDH1A1POLBKDM4ENQO2MEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410146-A One-step process for converting polyols to nitrogen-containing heterocycles using heterogeneous metal catalysts 浙江大学 2023-07-11 CN disclosed
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 US disclosed
US-11518833-B2 Composition, film, near infrared cut filter, laminate, pattern forming method, solid image pickup element, image display device, infrared sensor, and color filter FUJIFILM CORPORATION (JP) 2022-12-06 US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 US disclosed
CN-113087674-B Method for synthesizing quinoxaline compound under catalysis of visible light induced photosensitizer 河南大学 2022-06-17 CN disclosed
US-11209582-B2 Composition, curable composition, cured film, near infrared cut filter, infrared transmitting filter, solid image pickup element, infrared sensor, and camera module FUJIFILM CORPORATION (JP) 2021-12-28 US disclosed
US-11118059-B2 Film, film forming method, optical filter, laminate, solid image pickup element, image display device, and infrared sensor FUJIFILM CORPORATION (JP) 2021-09-14 US disclosed
US-11066537-B2 Composition, film, infrared cut filter, solid image pickup element, infrared sensor, camera module, and novel compound FUJIFILM CORPORATION (JP) 2021-07-20 US disclosed
CN-113087674-A Method for synthesizing quinoxaline compound under visible light induced iron catalysis condition 河南大学 2021-07-09 CN disclosed
US-20210139708-A1 COMPOSITION, FILM, NEAR INFRARED CUT FILTER, LAMINATE, PATTERN FORMING METHOD, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2021-05-13 US disclosed
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-30 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
WO-2014038666-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE 高砂香料工業株式会社 (JP) 2014-03-13 WO disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US 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 (9 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-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 ALDH1A1 1277/4885POLB 2995/4885KDM4E 782/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885POLB 2083/4885KDM4E 3667/4885
US-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 ALDH1A1 4235/4885POLB 3109/4885KDM4E 3573/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885POLB 2083/4885KDM4E 3667/4885
US-20150210657-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE HRH3, HRH1, ATIC ALDH1A1 918/4885POLB 984/4885KDM4E 2564/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885POLB 2563/4885KDM4E 3095/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885POLB 2083/4885KDM4E 3667/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 ALDH1A1 1277/4885POLB 2995/4885KDM4E 782/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885POLB 2563/4885KDM4E 3095/4885

“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.