SCHEMBL18979056

SCHEMBL18979056

O=S(=O)(O)c1ccc(CCCCN2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.62
▸ SIGMAR1 Q99720 4/20 0.59
▸ SCN5A Q14524 2/20 0.54
▸ HRH3 Q9Y5N1 13/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ KCNH2 Q12809 3/20 0.49
▸ SLC6A2 P23975 2/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ CACNA1C Q13936 1/20 0.48
▸ CHRM4 P08173 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL8507022 0.83 HRH3 (0.55) SIGMAR1HRH3KCNH2SLC6A3HTR2C
SCHEMBL3987646 0.83 HRH3 (0.69) SIGMAR1HRH3KCNH2SLC6A3
SCHEMBL30446884 0.81 CA2 (0.57) —
SCHEMBL4117753 0.78 HRH1 (0.67) HRH1SIGMAR1SCN5AHRH3LTA4H
SCHEMBL18917604 0.77 LTA4H (0.75) HRH1SIGMAR1SCN5AHRH3LTA4H
SCHEMBL4993786 0.77 HRH3 (0.77) HRH1SIGMAR1HRH3KCNH2
SCHEMBL22561783 0.77 HRH3 (0.74) HRH1SIGMAR1SCN5AHRH3KCNH2
SCHEMBL4991238 0.77 HRH1 (0.70) HRH1SIGMAR1SCN5AHRH3LTA4H
SCHEMBL10642989 0.77 HRH1 (0.60) HRH1SIGMAR1SCN5AHRH3LTA4H
SCHEMBL9625455 0.77 HRH1 (0.60) HRH1SIGMAR1SCN5AHRH3LTA4H

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
EP-3181554-B1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2020-10-28 — — EP disclosed
US-10774079-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-09-15 — — US disclosed
US-10421754-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2019-09-24 — — US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 — — US disclosed
EP-3181554-A1 QUINAZOLINE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-06-21 — — EP 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 (3 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-10774079-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 HRH1 2539/4885SIGMAR1 1292/4885SCN5A 1383/4885
US-10421754-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 HRH1 2539/4885SIGMAR1 1292/4885SCN5A 1383/4885
US-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 HRH1 2539/4885SIGMAR1 1292/4885SCN5A 1383/4885

“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.

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