SCHEMBL6040494

SCHEMBL6040494

COc1ccc(-c2nc3cccnc3[nH]2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.65
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RUNX1 Q01196 1/20 0.45
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
RIPK1 Q13546 1/20 0.45
PDE5A O76074 6/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL711485 0.90 PDE2A (0.52) PDE2AKDM4ENPC1RAB9ARUNX1
Sulmazole SCHEMBL29379462 0.82 PDE2A (0.45) PDE2ACYP1A2KDM4ECCNB2CDK1
SCHEMBL10742148 0.81 PDE2A (0.68) PDE2ACYP1A2CYP3A4KDM4ENPC1
SCHEMBL11237399 0.81 PDE2A (0.51) PDE2ACYP1A2CYP3A4KDM4EPDE5A
SCHEMBL3337825 0.80 PDE2A (0.66) PDE2AKDM4ENPC1RAB9ARUNX1
SCHEMBL11770981 0.79 PDE2A (1.00) PDE2ACYP1A2KDM4EPDE5APDE3B
Hydrochloric Acid SCHEMBL11769751 0.78 PDE2A (0.97) PDE2ACYP1A2KDM4EPDE5APDE3B
SCHEMBL10206881 0.78 AMY1A (0.56) PDE2AKDM4ENPC1RAB9ACCNB2
SCHEMBL10690574 0.78 PDE2A (0.51) PDE2ACYP1A2CYP3A4KDM4ERUNX1
SCHEMBL6040620 0.78 FGFR1 (0.43) PDE2ACYP1A2KDM4ECCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 PDE2A 1658/4885CYP1A2 74/4885CYP3A4 96/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 PDE2A 4251/4885CYP1A2 24/4885CYP3A4 25/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 PDE2A 1665/4885CYP1A2 71/4885CYP3A4 107/4885

“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.