SCHEMBL989291

SCHEMBL989291

CC(n1c(N)nc2ccc(C#Cc3ccccc3)cc21)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LCK P06239 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
FER P16591 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
FRK P42685 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL989292 1.00 GRM5 (0.39) GRM5JAK2PRKD3ABL1EGFR
SCHEMBL990060 1.00 GRM5 (0.39) GRM5JAK2PRKD3ABL1EGFR
SCHEMBL988473 0.79 CYP2C19 (0.44) GRM5MAPTACSS2MEN1KMT2A
SCHEMBL990617 0.79 MAPK14 (0.43) GRM5PRKD3ERBB2FGFR1FRK
SCHEMBL4581651 0.78 NOS2 (0.49) MEN1KMT2AL3MBTL1NOD1HSD17B10
SCHEMBL4581653 0.78 NOS2 (0.49) MEN1KMT2AL3MBTL1NOD1HSD17B10
SCHEMBL991367 0.77 PI4KB (0.46) PI4KBACSS2MEN1KMT2A
SCHEMBL989513 0.77 PI4KB (0.46) PI4KBACSS2MEN1KMT2A
SCHEMBL989515 0.77 PI4KB (0.46) PI4KBACSS2MEN1KMT2A
SCHEMBL4830336 0.74 PI4KB (0.59) PI4KB

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 GRM5 2763/4885JAK2 273/4885PRKD3 213/4885

“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.