SCHEMBL10126464

SCHEMBL10126464

CCN(CC)S(=O)(=O)c1ccc(C)c(Nc2nc(SC)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 1/20 0.46
BRD4 O60885 3/20 0.45
BRPF1 P55201 2/20 0.45
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL10126500 0.85 TNNI3K (0.47) ALDH1A1LMNABRD4KMT2A
SCHEMBL10126495 0.83 TNNI3K (0.37) ALDH1A1MAPTBRD4KMT2AKDM4E
SCHEMBL10156534 0.81 HPGD (0.39) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10126468 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPTBRD4BRPF1
SCHEMBL10126469 0.80 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10158130 0.79 SYK (0.55) ALDH1A1LMNAMAPTBRD4BRPF1
SCHEMBL10126439 0.79 MEN1 (0.37) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL10157416 0.79 KMT2A (0.46) ALDH1A1LMNAMAPTBRD4BRPF1
SCHEMBL10156444 0.77 MAPK14 (0.42)
SCHEMBL10157034 0.76 SMN1; SMN2 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E

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 ALDH1A1 1554/4885LMNA 2845/4885MAPT 3116/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885LMNA 2845/4885MAPT 3116/4885

“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.