SCHEMBL9105422

SCHEMBL9105422

CC(=O)Nc1cc(-c2nc(C(=O)Nc3cnccn3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
PIK3C3 Q8NEB9 3/20 0.39
LIMK1 P53667 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
RIPK1 Q13546 1/20 0.37
MCL1 Q07820 1/20 0.36
EPAS1 Q99814 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL9108437 0.87 PIK3C3 (0.42) SMN1; SMN2KDM4EKMT2ARAB9AMEN1
SCHEMBL627354 0.86 PIK3C3 (0.43) KDM4EKMT2AMEN1PIK3C3LIMK1
SCHEMBL9104246 0.86 HSP90AB1 (0.46) KDM4EKMT2AMEN1PIK3C3TDP1
SCHEMBL626066 0.85 PIK3C3 (0.45) PIK3C3LIMK1TDP1GSK3AGSK3B
SCHEMBL9888623 0.85 TSHR (0.41) SMN1; SMN2LMNAKDM4EKMT2ARAB9A
SCHEMBL626529 0.85 IKBKB (0.47) KDM4EKMT2AMEN1PIK3C3LIMK1
SCHEMBL9104901 0.84 GAA (0.44) LMNAKDM4EKMT2ARAB9AMEN1
SCHEMBL626595 0.84 PIK3C3 (0.42) KDM4ERAB9APIK3C3TDP1
SCHEMBL9109069 0.83 PIK3C3 (0.41) PIK3C3LIMK1TDP1
SCHEMBL9109647 0.83 MAPT (0.43) SMN1; SMN2KDM4EKMT2APIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 SMN1; SMN2 4275/4885LMNA 3627/4885KDM4E 2506/4885

“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.