SCHEMBL1491406

SCHEMBL1491406

COC(=O)C1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.71
HTR7 P34969 3/20 0.55
MAPKAPK5 Q8IW41 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
PRMT5 O14744 3/20 0.53
EGFR P00533 3/20 0.53
DRD2 P14416 1/20 0.52

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
Hydrochloric Acid SCHEMBL28201946 0.99 MAPKAPK2 (0.70) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
Acetone SCHEMBL27932467 0.97 MAPKAPK2 (0.68) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
SCHEMBL10489357 0.86 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL273473 0.86 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
SCHEMBL29808213 0.86 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL10481507 0.86 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
SCHEMBL9696707 0.85 MAPKAPK2 (0.77) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL14924843 0.84 MAPKAPK2 (0.77) MAPKAPK2MAPKAPK5
SCHEMBL1491320 0.83 MAPKAPK2 (1.00) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL21465236 0.83 MAPKAPK2 (1.00) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753860-A Beta-carboline alkaloid and application thereof in preparation of antitumor drugs 兰州大学 2016-07-13 CN claimed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450338-A Heterocyclic carboxylic acid-modified thymopentins and their preparation method, anti-tumor effect and use UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP claimed
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US claimed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 EP claimed
CN-111303148-B 1-substituted beta-carboline derivatives and application thereof 南京农业大学 2022-08-30 CN disclosed
CN-111303148-A 1-substituted β -carboline derivatives and application thereof 南京农业大学 2020-06-19 CN disclosed
CN-105753860-A Beta-carboline alkaloid and application thereof in preparation of antitumor drugs 兰州大学 2016-07-13 CN disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US disclosed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 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 (1 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-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 MAPKAPK2 1644/4885HTR7 2101/4885MAPKAPK5 1955/4885

“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.