SCHEMBL989515

SCHEMBL989515

C[C@H](n1c(N)nc2ccc(C(=O)C(=O)c3ccccc3)cc21)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
B3GNT2 Q9NY97 3/20 0.42
ACSS2 Q9NR19 12/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
F2R P25116 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
SCHEMBL989513 1.00 PI4KB (0.46) PI4KBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL991367 1.00 PI4KB (0.46) PI4KBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL990104 0.81 B3GNT2 (0.43) NPC1RAB9AB3GNT2ACSS2KDM4E
SCHEMBL990105 0.81 B3GNT2 (0.43) NPC1RAB9AB3GNT2ACSS2KDM4E
SCHEMBL989186 0.81 ACSS2 (0.48) PI4KBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11008032 0.78 PI4KB (0.50) PI4KBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5984668 0.78 ACSS2 (0.45) PI4KBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4837467 0.77 PI4KB (0.74) PI4KB
SCHEMBL4581653 0.77 NOS2 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4581651 0.77 NOS2 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 PI4KB 62/4885NPC1 2472/4885RAB9A 1892/4885

“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.