SCHEMBL3146262

SCHEMBL3146262

Nc1ncc(Br)cc1C(=O)NCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHF13 Q86YI8 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BMPR1B O00238 2/20 0.48
BMPR1A P36894 2/20 0.48
TGFBR1 P36897 2/20 0.48
ACVRL1 P37023 2/20 0.48
ACVR1 Q04771 2/20 0.48
HTR4 Q13639 1/20 0.47
MAP4K4 O95819 1/20 0.47
KIT P10721 1/20 0.46
ATR Q13535 4/20 0.46
IKBKB O14920 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1251926 0.89 LMNA (0.53)
SCHEMBL2272717 0.80 CA12 (0.47) L3MBTL1JAK2JAK1TYK2JAK3
SCHEMBL21358401 0.79 CHEK2 (0.44) MEN1KMT2A
SCHEMBL3137648 0.77 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL29520111 0.76 EIF2S1 (0.42) ACVR1JAK2JAK1TYK2JAK3
SCHEMBL1252013 0.75 CHEK2 (0.61) MAP4K4JAK2JAK1TYK2JAK3
SCHEMBL12190202 0.75 ALDH1A1 (0.52) PHF13L3MBTL3L3MBTL1IKBKB
SCHEMBL16758379 0.75 KDM4E (0.50) KMT2A
SCHEMBL9010731 0.74 PIM1 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL12592289 0.74 PHF13 (0.80) PHF13L3MBTL3L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PHF13 1578/4885L3MBTL3 3952/4885L3MBTL1 4104/4885

“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.