SCHEMBL10128441

SCHEMBL10128441

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33
KMT2A Q03164 3/20 0.33
P2RX7 Q99572 2/20 0.33
PDE4B Q07343 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
RIPK2 O43353 1/20 0.31

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
SCHEMBL10156854 0.92 TNNI3K (0.40) SYKKMT2APOLBPKMPSMD14
SCHEMBL16303171 0.90 SYK (0.33) SYKJAK2JAK1KMT2AALDH1A1
SCHEMBL10128465 0.90 KMT2A (0.43) KMT2ALMNAMAPTSMN1; SMN2RECQL
SCHEMBL10157416 0.90 KMT2A (0.46) KMT2ALMNAMAPTSMN1; SMN2RECQL
SCHEMBL10128219 0.87 JAK2 (0.43) SYKJAK2JAK1
SCHEMBL10128401 0.86 SYK (0.36) SYKKMT2AKCNH2MAPTSMN1; SMN2
SCHEMBL10128214 0.86 EML4 (0.43) SYKJAK2JAK1PDE4B
SCHEMBL10158120 0.85 MAPK14 (0.37) SYKMAPK14
SCHEMBL10128474 0.84 HPGD (0.41) SYKKMT2AMAPTSMN1; SMN2POLB
SCHEMBL16303172 0.84 MAPK14 (0.38) SYKRETMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 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 (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 SYK 2200/4885JAK2 1536/4885JAK1 2743/4885

“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.