SCHEMBL10127031

SCHEMBL10127031

CSc1nc(Nc2ccc(C)cc2S(=O)(=O)C(C)C)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
XDH P47989 5/20 0.33
CXCR2 P25025 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
KCNMA1 Q12791 1/20 0.33
ALK Q9UM73 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL10127020 0.92 MEN1 (0.35) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL283685 0.87 ALK (0.40) ALK
SCHEMBL10127018 0.80 MAPT (0.38) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL10127085 0.78 GFER (0.41) KDM4EXDHALKMAPTRXFP1
SCHEMBL10128253 0.77 SYK (0.34) CXCR2ALK
SCHEMBL10126495 0.76 TNNI3K (0.37) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL10126500 0.74 TNNI3K (0.47) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL10126531 0.73 ALDH1A1 (0.42) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL10126439 0.73 MEN1 (0.37) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL10127016 0.72 MAPT (0.38) MEN1KMT2ATP53ALDH1A1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MEN1 724/4885KMT2A 103/4885TP53 1763/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MEN1 724/4885KMT2A 103/4885TP53 1763/4885

“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.