SCHEMBL21241017

SCHEMBL21241017

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.53
PDE3A Q14432 15/20 0.53
MAPT P10636 3/20 0.50
GALR3 O60755 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
MAPK1 P28482 2/20 0.46
SLFN12 Q8IYM2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.43
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL21241229 0.92 PDE3B (0.54) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL22910053 0.86 PDE3B (0.57) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241246 0.86 MAPT (0.68) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241618 0.85 PDE3B (0.54) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241427 0.84 PDE3B (0.64) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241233 0.84 PDE3B (0.54) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241019 0.84 PDE3B (0.54) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241020 0.84 PDE3B (0.54) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL21241243 0.83 PDE3B (0.58) PDE3BPDE3AMAPTGALR3SMN1; SMN2
SCHEMBL17448367 0.82 PDE3B (0.60) PDE3BPDE3AMAPTGALR3SMN1; 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 50/4885MAPT 3866/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 PDE3B 39/4885PDE3A 50/4885MAPT 3866/4885

“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.