SCHEMBL21241015

SCHEMBL21241015

CCC(=O)NC(=N)Nc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.53
KCNH2 Q12809 1/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.42
PDE3A Q14432 10/20 0.42
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL21241239 0.84 KCNH2 (0.52) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL21241228 0.83 KCNH2 (0.56) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL21241240 0.82 MAPT (0.51) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL21241242 0.80 KCNH2 (0.52) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL21241022 0.80 KCNH2 (0.52) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL10757310 0.79 PDE3B (0.61) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL11193380 0.79 PDE3B (0.64) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL10997572 0.79 PDE3B (0.64) PDE3BKCNH2MAPTLMNANPY1R
SCHEMBL21241227 0.79 PDE3B (0.66) PDE3BMAPTLMNASMN1; SMN2PDE3A
SCHEMBL10990539 0.79 PDE3B (0.53) PDE3BKCNH2MAPTLMNANPY1R

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 4 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
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 39/4885KCNH2 1074/4885MAPT 3866/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 PDE3B 39/4885KCNH2 1074/4885MAPT 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.