SCHEMBL22689683

SCHEMBL22689683

c1cncc([C@@H]2CCON2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.58
CHRNA4 P43681 5/20 0.58
CHRNA7 P36544 4/20 0.53
CYP2A6 P11509 8/20 0.51
MEN1 O00255 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP11B2 P19099 1/20 0.49
CYP3A4 P08684 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
SCHEMBL11522537 1.00 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL25816376 0.79 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA7
SCHEMBL29048263 0.79 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA7
SCHEMBL22232773 0.79 SLC18A3 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL18921517 0.79 SLC18A3 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL1638748 0.79 SLC18A3 (0.39) MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29048286 0.78 CHRNB2 (0.32) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29048250 0.78 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL30678228 0.78 CYP11B1 (0.38) CHRNB2CHRNA4CYP2A6CYP1A2CYP11B2
SCHEMBL22444813 0.74 TNKS (0.34) CHRNB2CHRNA4CHRNA7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019373-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES VORONOI INC. (KR) 2025-01-16 US disclosed
EP-4421077-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES Voronoi Inc. (KR) 2024-08-28 EP disclosed
WO-2023068881-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES 주식회사 보로노이바이오 2023-04-27 WO disclosed
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF VORONOIBIO INC. (KR) 2022-08-04 US disclosed
WO-2022131741-A1 ISOXAZOLIDINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-06-23 WO disclosed
WO-2022131741-A1 ISOXAZOLIDINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-06-23 WO disclosed
EP-3971190-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2022-03-23 EP disclosed
WO-2020235902-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF 주식회사 보로노이 (KR) 2020-11-26 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-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF CDK4, CDK6, CDK16 CHRNB2 4798/4885CHRNA4 4561/4885CHRNA7 4389/4885
US-20250019373-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES RIPK1, RIPK2, RIPK3 CHRNB2 4278/4885CHRNA4 4640/4885CHRNA7 4298/4885

“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.