SCHEMBL10126522

SCHEMBL10126522

CSc1nc(Nc2ccc(S(=O)(=O)N3CCCCC3)c(C)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 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
SCHEMBL10156536 0.89 MCOLN3 (0.44) MAPTALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL10126531 0.86 ALDH1A1 (0.42) ALDH1A1TP53HTTLMNAMEN1
SCHEMBL10126469 0.83 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2MITFHTT
SCHEMBL10126528 0.83 MAPT (0.43) MAPTTHRBJAK2JAK1EPHX2
SCHEMBL10126584 0.83 JAK2 (0.45) JAK2JAK1CNR1
SCHEMBL10128530 0.81 SYK (0.61)
SCHEMBL10126601 0.81 CNR2 (0.40) JAK2JAK1ALDH1A1SMN1; SMN2HTT
SCHEMBL10128745 0.81 MAPT (0.41) MAPTTHRBJAK2JAK1EPHX2
SCHEMBL10127164 0.79 GRM4 (0.43) MAPTALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL10126576 0.79 CYP3A4 (0.41) MAPTALDH1A1TP53GAAHSD17B10

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 MAPT 3116/4885THRB 4052/4885JAK2 1536/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885THRB 4052/4885JAK2 1536/4885

“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.