SCHEMBL21241229

SCHEMBL21241229

CCNC(=N)Nc1ccc(C2=NNC(=O)CC2C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.54
PDE3A Q14432 15/20 0.54
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
GALR3 O60755 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
MAPK1 P28482 2/20 0.47
SLFN12 Q8IYM2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.44
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 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
SCHEMBL21241017 0.92 PDE3B (0.53) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL22910053 0.88 PDE3B (0.57) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241618 0.87 PDE3B (0.54) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241020 0.85 PDE3B (0.54) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241019 0.85 PDE3B (0.54) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241233 0.85 PDE3B (0.54) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241282 0.85 MAPT (0.67) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241243 0.85 PDE3B (0.58) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL17448367 0.84 PDE3B (0.60) PDE3BPDE3AALDH1A1MAPTGALR3
SCHEMBL21241424 0.84 PDE3B (0.67) PDE3BPDE3AALDH1A1MAPTSMN1; SMN2

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 50/4885ALDH1A1 2733/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 PDE3B 39/4885PDE3A 50/4885ALDH1A1 2733/4885

“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.