SCHEMBL10128465

SCHEMBL10128465

Cc1ccc(S(=O)(=O)N2CCCCC2)cc1Nc1nc(NCC2(N)CCCCC2)[nH]c(=O)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MITF O75030 1/20 0.41
PAX8 Q06710 1/20 0.41
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL10128712 0.91 ATM (0.39) KMT2AALDH1A1KDM4EPOLBLMNA
SCHEMBL10128441 0.90 SYK (0.35) KMT2ARECQLPKMALDH1A1KDM4E
SCHEMBL10156854 0.89 TNNI3K (0.40) KMT2APKMPOLB
SCHEMBL16303171 0.88 SYK (0.33) KMT2AALDH1A1PTPN11L3MBTL1
SCHEMBL10157416 0.87 KMT2A (0.46) KMT2ARECQLPKMALDH1A1KDM4E
SCHEMBL10128745 0.85 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2MITFHTT
SCHEMBL10128474 0.84 HPGD (0.41) KMT2APOLBMAPTSMN1; SMN2NPC1
SCHEMBL10128401 0.84 SYK (0.36) KMT2AMAPTSMN1; SMN2
SCHEMBL10158120 0.82 MAPK14 (0.37)
SCHEMBL10126469 0.81 ALDH1A1 (0.46) KMT2ARECQLPKMALDH1A1KDM4E

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 8 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-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-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-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
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 KMT2A 103/4885RECQL 4210/4885PKM 1782/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 KMT2A 103/4885RECQL 4210/4885PKM 1782/4885

“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.