SCHEMBL19690941

SCHEMBL19690941

C#CCOc1cccc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
MAOB P27338 2/20 0.41
NR3C1 P04150 4/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
POLB P06746 1/20 0.39
CACNA2D1 P54289 6/20 0.39

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
SCHEMBL7133046 0.88 LOXL2 (0.44) CYP3A4CYP2A6MAPTKDM4EMAOB
SCHEMBL19038909 0.82 CYP3A4 (0.57) CYP3A4CYP2A6MAPTMAOBLOXL2
SCHEMBL23412378 0.80 MAPT (0.52) MAPTKDM4ENR3C1HTR1AHTR1D
SCHEMBL23412188 0.79 NCF1 (0.51) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL96151 0.78 HTR1A (0.45) MAPTKDM4ENR3C1HTR1AHTR1D
SCHEMBL9601934 0.77 SYK (0.54) MAPTKDM4ENR3C1HTR1AHTR1D
SCHEMBL27958848 0.77 KDM4E (0.48) MAPTKDM4ENR3C1HTR1AHTR1D
SCHEMBL23412437 0.77 NCF1 (0.58) MAPTKDM4EHTR1AHTR1DHTR1B
SCHEMBL94786 0.77 KDM4E (0.48) CYP3A4MAPTKDM4ENR3C1HTR1A
SCHEMBL28146672 0.77 KDM4E (0.48) MAPTKDM4ENR3C1HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-01-12 US disclosed
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. 2020-12-31 US disclosed
CN-107848976-B Alkynyl pyridine prolyl hydroxylase inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-11-17 CN disclosed
EP-3360862-B1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2020-04-22 EP disclosed
US-20180305317-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-10-25 US disclosed
US-9980954-B2 Quinoline derivatives for inhibiting histone methyltransferases and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-05-29 US disclosed
US-20170354650-A1 QUINOLINE DERIVATIVES FOR INHIBITING HISTONE METHYLTRANSFERASES AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-14 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 (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-20180305317-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR CYP3A4 1066/4885CYP2A6 700/4885MAPT 3982/4885
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof EGLN3, EGLN2, EPOR CYP3A4 1066/4885CYP2A6 700/4885MAPT 3982/4885
US-20170354650-A1 QUINOLINE DERIVATIVES FOR INHIBITING HISTONE METHYLTRANSFERASES AND USE THEREOF NSD1, EHMT1, SETDB1 CYP3A4 3799/4885CYP2A6 4751/4885MAPT 2983/4885
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR CYP3A4 1066/4885CYP2A6 700/4885MAPT 3982/4885

“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.