SCHEMBL23657274

SCHEMBL23657274

COCCCN1CCCNCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.63
HRH3 Q9Y5N1 4/20 0.50
HRH1 P35367 4/20 0.50
HRH2 P25021 3/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CXCL12 P48061 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL584267 0.92 MEN1 (0.51) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL2189051 0.89 CXCR4 (0.57) CXCR4HRH3HRH1HRH2MEN1
Hydrochloric Acid SCHEMBL28701161 0.87 CXCR4 (0.55) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL10927121 0.86 CXCR4 (0.52) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL20332793 0.85 MEN1 (0.46) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL8321073 0.85 CXCR4 (0.55) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL22266289 0.85 CXCR4 (0.55) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL25980827 0.82 CXCR4 (0.59) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL5569626 0.82 CXCR4 (0.91) CXCR4HRH3HRH1HRH2MEN1
SCHEMBL1277016 0.82 HRH3 (0.52) HRH3MEN1KMT2A

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
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 US disclosed
WO-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 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-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH CXCR4 153/4885HRH3 956/4885HRH1 1642/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS CXCR4 3793/4885HRH3 2708/4885HRH1 2277/4885

“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.