SCHEMBL1502964

SCHEMBL1502964

Cc1ccc2[nH]c(=O)[nH]c2n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.50
PDE3A Q14432 15/20 0.50
PDE2A O00408 2/20 0.47
P2RY12 Q9H244 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL20703662 0.83 KDM4E (0.51) NOS1NOS2KDM4EKMT2AADORA2A
SCHEMBL29598934 0.83 KDM4E (0.51) NOS1NOS2KDM4EKMT2AADORA2A
SCHEMBL11236532 0.77 PDE3B (0.49) PDE3BPDE3APDE2AP2RY12
SCHEMBL1586090 0.77 PDE3B (0.47) PDE3BPDE3APDE2AP2RY12TYRO3
SCHEMBL2271318 0.76 NOS1 (0.44) PDE3BPDE3APDE2AP2RY12NOS1
SCHEMBL17731751 0.75 SIRT2 (0.60) NOS1NOS2KDM4EKMT2AADORA2A
SCHEMBL5786187 0.75 SIRT2 (0.60) PDE3BPDE3APDE2AP2RY12TYRO3
SCHEMBL1163700 0.75 SIRT2 (0.64) PDE3BPDE3APDE2AP2RY12TYRO3
SCHEMBL16939766 0.75 PDE3B (0.44) PDE3BPDE3APDE2AP2RY12TYRO3
SCHEMBL11236470 0.72 PDE3B (0.48) PDE3BPDE3APDE2AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO claimed
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 US disclosed
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 US disclosed
EP-3833663-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS Syngenta Crop Protection AG (CH) 2021-06-16 EP disclosed
CN-112585137-A Pesticidally active bicyclic heteroaromatic compounds 先正达农作物保护股份公司 2021-03-30 CN disclosed
WO-2020030503-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 WO disclosed
WO-2020030503-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 WO disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PDE3B 4693/4885PDE3A 4572/4885PDE2A 4615/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 PDE3B 245/4885PDE3A 208/4885PDE2A 262/4885
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO PDE3B 2143/4885PDE3A 1963/4885PDE2A 2280/4885
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, CYP1B1 PDE3B 1456/4885PDE3A 906/4885PDE2A 1436/4885

“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.