SCHEMBL10028286

SCHEMBL10028286

O=C1CC=C(O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MAPK1 P28482 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
APAF1 O14727 2/20 0.41
TDP2 O95551 2/20 0.41
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAOA P21397 4/20 0.37
BCL2 P10415 2/20 0.37
MCL1 Q07820 2/20 0.37
S100A4 P26447 3/20 0.36
CDC25B P30305 1/20 0.36
CES1 P23141 3/20 0.35
BCHE P06276 2/20 0.35
RECQL P46063 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL11358332 0.79 ALDH1A1 (0.40) MAPK1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1748980 0.76 ALDH1A1 (0.41) MAPTMAPK1KDM4EALDH1A1CYP3A4
SCHEMBL28905016 0.74 PTPRC (0.45) MAPTMAPK1KDM4EALDH1A1APAF1
SCHEMBL284219 0.74
SCHEMBL25059985 0.73 SLC2A1 (0.38) MAPTMAPK1KDM4EALDH1A1CYP3A4
SCHEMBL28490476 0.73 CDC25B (0.39) MAPTMAPK1KDM4EALDH1A1CYP3A4
SCHEMBL29727870 0.73 IDO1 (0.41) MAPTMAPK1KDM4EAPAF1TDP2
SCHEMBL16047148 0.73 IDO1 (0.41) MAPTMAPK1KDM4EAPAF1TDP2
SCHEMBL276263 0.71 HTR6 (0.40) MAPTKDM4EALDH1A1CYP3A4HPGD
SCHEMBL29137694 0.71 NOTUM (0.41) MAPTMAPK1KDM4EALDH1A1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734642-B Synthesis and application of naphthalenone-sulfoxide ylide hybrid 河南师范大学 2020-10-09 CN disclosed
US-10633369-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2020-04-28 US disclosed
US-20180201606-A1 METHOD OF INHIBITING DYRK1B 4 SC AG (DE) 2018-07-19 US disclosed
US-9951050-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2018-04-24 US disclosed
US-20140371251-A1 METHOD OF INHIBITING DYRK1B 4SC DISCOVERY GMBH (DE) 2014-12-18 US disclosed
US-8877929-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-04 US disclosed
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-16 US disclosed
US-8357806-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2012-08-30 US disclosed
US-8207341-B2 Process or synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-26 US disclosed
US-20100056792-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2010-03-04 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 (6 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-20100056792-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP MAPT 3518/4885MAPK1 2733/4885KDM4E 1067/4885
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP MAPT 3518/4885MAPK1 2733/4885KDM4E 1067/4885
US-10633369-B2 Method of inhibiting DYRK1B SMO, GLI1, GRK2 MAPT 4239/4885MAPK1 1109/4885KDM4E 996/4885
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP MAPT 3518/4885MAPK1 2733/4885KDM4E 1067/4885
US-20180201606-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 MAPT 4239/4885MAPK1 1109/4885KDM4E 996/4885
US-20140371251-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 MAPT 4239/4885MAPK1 1109/4885KDM4E 996/4885

“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.