SCHEMBL10003393

SCHEMBL10003393

Cc1ccc(S(=O)(=O)n2cc(Br)cc2C(=O)CC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ UBE2N P61088 1/20 0.34

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
SCHEMBL10003780 0.79 RAPGEF4 (0.51) CA1CA2L3MBTL1RAPGEF4GLA
SCHEMBL10004099 0.78 NOD2 (0.54) CA1CA2L3MBTL1KMT2ARAPGEF4
SCHEMBL2184458 0.77 CA1 (0.43) CA1CA2L3MBTL1KMT2AKDM4E
SCHEMBL10003058 0.76 NOD2 (0.47) L3MBTL1KMT2AKCNH2THRBKDM4E
SCHEMBL10004609 0.76 NOD2 (0.47) L3MBTL1KMT2AKCNH2THRBKDM4E
SCHEMBL10003873 0.75 NPSR1 (0.41) CA1CA2L3MBTL1KMT2AKDM4E
SCHEMBL10003870 0.75 NPSR1 (0.41) CA1CA2L3MBTL1KMT2AKDM4E
SCHEMBL10003264 0.74 PTGDR2 (0.39) L3MBTL1KMT2AKCNH2KDM4ELMNA
SCHEMBL18332156 0.73 NOD1 (0.44) L3MBTL1KMT2AKDM4ELMNATSHR
SCHEMBL10004054 0.72 NOD1 (0.51) L3MBTL1KCNH2KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — 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 (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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 CA1 3953/4885CA2 466/4885L3MBTL1 2350/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 CA1 2067/4885CA2 460/4885L3MBTL1 3032/4885

“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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