SCHEMBL15050992

SCHEMBL15050992

CC(=O)Nc1cc(-n2cc(-c3ncn(COCC[Si](C)(C)C)n3)c(-c3ccccc3Cl)n2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
EPAS1 Q99814 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
MAPK14 Q16539 6/20 0.32
MAPK10 P53779 4/20 0.32
DGAT2 Q96PD7 1/20 0.32
CNR1 P21554 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL15050831 0.86 ALDH1A1 (0.31) SMN1; SMN2MAPT
SCHEMBL15051190 0.86 TYK2 (0.31) TYK2DGAT2
SCHEMBL15051059 0.78 JAK2 (0.40) SMN1; SMN2JAK2JAK1TYK2EPAS1
SCHEMBL15051305 0.78 DGAT1 (0.36) TYK2RAF1BRAFCNR1
SCHEMBL15051135 0.77
SCHEMBL15051918 0.75 TYK2 (0.47) SMN1; SMN2JAK2JAK1TYK2EPAS1
SCHEMBL15051198 0.74 WDR5 (0.34)
SCHEMBL15051073 0.74 JAK2 (0.40) SMN1; SMN2JAK2JAK1TYK2EPAS1
SCHEMBL15051183 0.74 JAK2 (0.43) SMN1; SMN2JAK2JAK1TYK2EPAS1
SCHEMBL15051260 0.74 JAK2 (0.39) SMN1; SMN2JAK2JAK1TYK2EPAS1

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
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 SMN1; SMN2 3783/4885JAK2 338/4885JAK1 920/4885

“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.