SCHEMBL496868

SCHEMBL496868

OCc1ccc2ncnc(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
IRAK4 Q9NWZ3 2/20 0.45
PDE5A O76074 1/20 0.45
RECQL P46063 1/20 0.43
HTT P42858 2/20 0.40
NR2F2 P24468 1/20 0.40
ENPP1 P22413 2/20 0.40
SLC22A12 Q96S37 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
PLAU P00749 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL27890062 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4420740 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL2642909 0.80 ALDH1A1 (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL27797765 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DIRAK4
SCHEMBL13404526 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DIRAK4
SCHEMBL19032266 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL30405899 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL27868783 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL17209359 0.78 PIK3CG (0.45) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL15519501 0.76 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 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-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
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 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
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 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
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX PDE4A 3538/4885PDE4B 3295/4885PDE4C 3884/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B PDE4A 1709/4885PDE4B 1785/4885PDE4C 2016/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PDE4A 18/4885PDE4B 33/4885PDE4C 65/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PDE4A 3546/4885PDE4B 3338/4885PDE4C 3906/4885

“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.