SCHEMBL497153

SCHEMBL497153

O=C1NC(=NCc2ccccc2)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.74
CDK1 P06493 4/20 0.74
PRKCD Q05655 3/20 0.74
CCNB1 P14635 2/20 0.74
MAPK1 P28482 2/20 0.74
AURKA O14965 1/20 0.74
CCNT1 O60563 1/20 0.74
CCNA2 P20248 1/20 0.74
CCNE1 P24864 1/20 0.74
CDK2 P24941 1/20 0.74
GSK3A P49840 1/20 0.74
CDK7 P50613 1/20 0.74
CDK9 P50750 1/20 0.74
CCNH P51946 1/20 0.74
MNAT1 P51948 1/20 0.74
CDK5 Q00535 1/20 0.74
CDK5R1 Q15078 1/20 0.74
AURKB Q96GD4 1/20 0.74
DYRK3 O43781 5/20 0.69
HPGD P15428 3/20 0.65

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
SCHEMBL10093418 1.00 GSK3B (0.74) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL497152 1.00 GSK3B (0.74) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL26092662 0.85 GSK3B (1.00) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL497544 0.84 DYRK3 (0.80) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL497545 0.84 DYRK3 (0.80) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL10093419 0.84 DYRK3 (0.80) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL13196997 0.83 DYRK3 (0.68) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL2787615 0.82 DYRK3 (1.00) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL2787614 0.82 DYRK3 (1.00) GSK3BCDK1PRKCDCCNB1MAPK1
SCHEMBL4377398 0.81 HPGD (0.61) GSK3BCDK1PRKCDCCNB1MAPK1

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
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US claimed
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
EP-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 EP disclosed
WO-2007030360-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2007-03-15 WO disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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 (3 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-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 GSK3B 100/4885CDK1 40/4885PRKCD 12/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B GSK3B 1117/4885CDK1 95/4885PRKCD 284/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 GSK3B 126/4885CDK1 67/4885PRKCD 515/4885

“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.