SCHEMBL21617360

SCHEMBL21617360

NC(=O)c1nnc(Cl)cc1NCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
CD38 P28907 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC8 Q9BY41 2/20 0.43
VNN1 O95497 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK8 P45983 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21617346 0.84 HDAC8 (0.47) CD38HDAC8VNN1MEN1KMT2A
SCHEMBL30724596 0.84 HDAC8 (0.47) CD38HDAC8VNN1MEN1KMT2A
SCHEMBL2479527 0.78 JAK3 (0.53) CD38CYP2C9CYP2C19HDAC8VNN1
SCHEMBL19021170 0.77 ATM (0.55) HDAC8VNN1MEN1KMT2AHDAC1
SCHEMBL19021842 0.76 AURKA (0.46) SYKCD38CYP2C9CYP2C19VNN1
SCHEMBL29206798 0.76 PKM (0.47) SYKHDAC8KMT2AMAPTALDH1A1
SCHEMBL19021167 0.74 SYK (0.55) SYKMEN1KMT2A
SCHEMBL23015337 0.74 KDM4E (0.48) CD38VNN1MEN1KMT2AMAPT
SCHEMBL2133084 0.72 MEN1 (0.47) CD38HDAC8VNN1MEN1KMT2A
SCHEMBL29937050 0.72 KDM4C (0.52) SYKCYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 US disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 CN disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 US disclosed
EP-3820566-A1 P2X3 RECEPTOR ANTAGONISTS Recordati Industria Chimica E Farmaceutica SPA (IT) 2021-05-19 EP disclosed
CN-112584898-A P2X3Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2021-03-30 CN disclosed
WO-2020011921-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2020-01-16 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-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS P2RX3, P2RX5, P2RX2 SYK 2628/4885CD38 1100/4885CYP2C9 1053/4885
US-11999732-B2 P2X3 receptor antagonists P2RX3, P2RX5, P2RX2 SYK 2628/4885CD38 1100/4885CYP2C9 1053/4885

“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.