SCHEMBL10156526

SCHEMBL10156526

CCN(CC)C(=O)c1ccc(C)c(Nc2nc(SC)nc(C)c2C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LCK P06239 1/20 0.38
MAPK3 P27361 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LRRK2 Q5S007 2/20 0.35
TP53 P04637 1/20 0.35
BLM P54132 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL16305343 0.92 HPGD (0.40) HPGDKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10155917 0.84 MAPK14 (0.44)
SCHEMBL10156534 0.82 HPGD (0.39) HPGDKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10126444 0.77 MAPK3 (0.43) HPGDKMT2AMEN1LMNASMN1; SMN2
SCHEMBL17340266 0.76 ALDH1A1 (0.41) HPGDLMNASMN1; SMN2ALDH1A1MAPK3
SCHEMBL10156657 0.76 TNNI3K (0.47) KMT2AMEN1LMNAALDH1A1PKM
SCHEMBL10156459 0.76 MAPK1 (0.39) HPGDKMT2AMEN1LMNAALDH1A1
SCHEMBL16305323 0.75 MAPK14 (0.43) MAPT
SCHEMBL17690535 0.74 MAPK14 (0.42) LCK
SCHEMBL10126468 0.73 ALDH1A1 (0.43) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885KMT2A 103/4885MEN1 724/4885

“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.