SCHEMBL21241240

SCHEMBL21241240

CCCNC(=N)Nc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
KCNH2 Q12809 1/20 0.50
PDE3B Q13370 9/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.43
PDE3A Q14432 8/20 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 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL21241239 0.90 KCNH2 (0.52) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL21241228 0.84 KCNH2 (0.56) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL21241015 0.82 PDE3B (0.53) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL21241022 0.81 KCNH2 (0.52) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL21241242 0.81 KCNH2 (0.52) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL21241241 0.78 KCNH2 (0.58) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL21241427 0.78 PDE3B (0.64) MAPTLMNAPDE3BSMN1; SMN2PDE3A
SCHEMBL21241021 0.78 KCNH2 (0.52) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL10990539 0.77 PDE3B (0.53) MAPTLMNANPY1RNPY2RKCNH2
SCHEMBL10995551 0.77 MAPT (0.52) MAPTLMNANPY1RNPY2RKCNH2

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 7 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-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 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
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 MAPT 3866/4885LMNA 773/4885NPY1R 262/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 MAPT 3866/4885LMNA 773/4885NPY1R 262/4885

“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.