SCHEMBL21241247

SCHEMBL21241247

CC1CC(=O)NN=C1c1ccc(NC(=N)NC2CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.67
PDE3A Q14432 17/20 0.67
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.57
BLM P54132 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TNNC1 P63316 1/20 0.55
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48

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
SCHEMBL22910042 0.87 PDE3B (0.71) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241424 0.84 PDE3B (0.67) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241248 0.84 PDE3B (0.67) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241014 0.84 PDE3B (0.67) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241020 0.84 PDE3B (0.54) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241423 0.83 PDE3B (0.73) PDE3BPDE3AKDM4EALDH1A1CYP1A2
Iodide SCHEMBL10423682 0.82 PDE3B (0.71) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241427 0.82 PDE3B (0.64) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL10762684 0.81 KDM4E (0.66) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL21241227 0.81 PDE3B (0.66) PDE3BPDE3AKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD (CN) 2022-11-29 US claimed
CN-110117257-B P2Y12 receptor antagonist containing guanidyl as well as preparation method and application thereof 安徽省新星药物开发有限责任公司 2022-12-06 CN disclosed
US-20210078954-A1 GUANIDYL-CONTAINING P2Y12 RECEPTOR ANTAGONIST AND PREPARATION METHOD AND APPLICATION THEREOF ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD (CN) 2021-03-18 US disclosed
EP-3766872-A1 P2Y12 RECEPTOR ANTAGONIST CONTAINING GUANIDYL, AND PREPARATION METHOD AND USE THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2021-01-20 EP disclosed
WO-2019149259-A1 P2Y12 RECEPTOR ANTAGONIST CONTAINING GUANIDYL, AND PREPARATION METHOD AND USE THEREOF 安徽省新星药物开发有限责任公司 2019-08-08 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 (2 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-20210078954-A1 GUANIDYL-CONTAINING P2Y12 RECEPTOR ANTAGONIST AND PREPARATION METHOD AND APPLICATION THEREOF P2RY12, P2RY13, P2RY11 PDE3B 39/4885PDE3A 50/4885KDM4E 3803/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 PDE3B 39/4885PDE3A 50/4885KDM4E 3803/4885

“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.