SCHEMBL1739337

SCHEMBL1739337

CCOC(=O)c1ccn(CC)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
JMJD6 Q6NYC1 1/20 0.55
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.45
MAPT P10636 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
SCHEMBL948098 0.88 CYP1A2 (0.50) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL29625288 0.87 CYP1A2 (0.49) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL29625287 0.87 CYP1A2 (0.49) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL865041 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL17476012 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL10133288 0.84 ALDH1A1 (0.63) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL24915303 0.84 CYP1A2 (0.46) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL2413194 0.84 CYP1A2 (0.46) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL17438006 0.84 CYP1A2 (0.46) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9
SCHEMBL31165600 0.84 CYP1A2 (0.46) ALDH1A1CYP1A2KMT2ACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355007-A Herbicidal pyridone derivatives 先正达农作物保护股份公司 2024-07-16 CN disclosed
CN-118201928-A 6-Heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors 艾捷斯治疗公司 2024-06-14 CN disclosed
CN-113748110-B Substituted pyrimidine or pyridine amine derivatives, compositions thereof and pharmaceutical use thereof 上海海雁医药科技有限公司 2024-05-14 CN disclosed
CN-117915919-A Polymorphs, pharmaceutical compositions and uses of azaaromatic ring compounds and pharmaceutically acceptable salts thereof 上海海雁医药科技有限公司 2024-04-19 CN disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
EP-3806958-B1 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
EP-3807261-B1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-07-13 EP disclosed
WO-2019244001-A1 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-20130178475-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 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-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L ALDH1A1 1466/4885CYP1A2 31/4885KMT2A 1760/4885
US-20130178475-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885CYP1A2 572/4885KMT2A 4149/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 ALDH1A1 616/4885CYP1A2 170/4885KMT2A 2565/4885
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP ALDH1A1 1089/4885CYP1A2 1882/4885KMT2A 3710/4885

“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.