SCHEMBL20102380

SCHEMBL20102380

Cc1ncc(Br)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.51
▸ SLC40A1 Q9NP59 5/20 0.51
▸ PIK3C3 Q8NEB9 3/20 0.48
▸ NMT1 P30419 1/20 0.47
▸ KIT P10721 2/20 0.44
▸ OXTR P30559 1/20 0.43
▸ EDNRB P24530 1/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ ALPL P05186 1/20 0.42

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
SCHEMBL16926599 0.90 PIK3C3 (0.57) CCR2SLC40A1PIK3C3NMT1KIT
SCHEMBL16913898 0.88 PIK3C3 (0.56) CCR2PIK3C3NMT1
SCHEMBL20102458 0.81 CCR4 (0.50) SLC40A1PIK3C3EDNRBEDNRA
SCHEMBL16913865 0.81 PIK3C3 (0.58) CCR2PIK3C3
SCHEMBL17001151 0.81 CCR2 (0.57) CCR2SLC40A1PIK3C3NMT1KIT
SCHEMBL16996875 0.75 EDNRB (0.53) PIK3C3EDNRBEDNRAALPL
SCHEMBL790913 0.74 PIK3C3 (0.59) PIK3C3
SCHEMBL20099852 0.72 PIK3C3 (0.39) CCR2SLC40A1PIK3C3KITALPL
SCHEMBL16926703 0.70 CCR2 (0.50) CCR2SLC40A1PIK3C3KITOXTR
SCHEMBL17001158 0.68 PIK3C3 (0.59) CCR2PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 — — US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 — — US 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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B CCR2 1505/4885SLC40A1 2151/4885PIK3C3 1186/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B CCR2 1505/4885SLC40A1 2151/4885PIK3C3 1186/4885

“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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