SCHEMBL24672520

SCHEMBL24672520

Fc1ccccc1C1=NCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.57
CHRNA3 P32297 12/20 0.57
NISCH Q9Y2I1 1/20 0.46
CHRNA7 P36544 2/20 0.45
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.41
NOS3 P29474 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL30812588 1.00 CHRNB4 (0.57) CHRNB4CHRNA3NISCHCHRNA7MAPT
SCHEMBL29833755 0.96 CHRNB4 (0.52) CHRNB4CHRNA3NISCHCHRNA7MAPT
SCHEMBL17353143 0.79 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7MAPTLMNA
SCHEMBL20508918 0.78 CHRNB4 (0.55) CHRNB4CHRNA3CHRNA7MAPTTSHR
SCHEMBL25282712 0.78 CHRNB4 (0.55) CHRNB4CHRNA3CHRNA7MAPTTSHR
SCHEMBL9633955 0.76 CHRNB4 (0.52) CHRNB4CHRNA3NISCHCHRNA7MAPT
SCHEMBL29420191 0.73 CHRNB4 (0.49) CHRNB4CHRNA3NISCHCHRNA7MAPT
SCHEMBL1429750 0.73 CHRNB4 (0.49) CHRNB4CHRNA3NISCHCHRNA7MAPT
SCHEMBL895500 0.72 CHRNB4 (1.00) CHRNB4CHRNA3NISCHCHRNA7MAPT
SCHEMBL2323955 0.72 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7MAPTTSHR

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-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-11-07 US disclosed
EP-4353732-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-04-17 EP disclosed
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 CN disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 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 (1 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-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF ENTPD5, ENTPD1, ENTPD2 CHRNB4 642/4885CHRNA3 306/4885NISCH 3488/4885

“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.