SCHEMBL21241241

SCHEMBL21241241

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
PDE3B Q13370 12/20 0.53
PDE3A Q14432 11/20 0.51
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
PDE2A O00408 3/20 0.44

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
SCHEMBL10667604 0.86 KCNH2 (0.58) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL21241228 0.83 KCNH2 (0.56) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL6559298 0.81 KCNH2 (0.59) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL2478615 0.80 KCNH2 (0.66) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL21241239 0.80 KCNH2 (0.52) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL21241021 0.80 KCNH2 (0.52) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL21241022 0.80 KCNH2 (0.52) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL21241242 0.80 KCNH2 (0.52) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL10353452 0.79 SMN1; SMN2 (0.81) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL10752098 0.79 KCNH2 (0.51) KCNH2SMN1; SMN2PDE3BPDE3APDE4A

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 KCNH2 1074/4885SMN1; SMN2 2584/4885PDE3B 39/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 KCNH2 1074/4885SMN1; SMN2 2584/4885PDE3B 39/4885

“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.