SCHEMBL989883

SCHEMBL989883

CC(C)Nc1cc(-c2[nH]nnc2-c2ccccc2)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.37
HDAC2 Q92769 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HDAC3 O15379 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
MAPK14 Q16539 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33

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
SCHEMBL990761 0.84 HDAC1 (0.39) HDAC1HDAC2SMN1; SMN2HDAC3LMNA
SCHEMBL989935 0.79 MAPK13 (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL11696736 0.78 HDAC2 (0.57) HDAC1HDAC2HDAC3LMNAMEN1
SCHEMBL990904 0.74 MAPK14 (0.39) HDAC1HDAC2KDM4EALDH1A1GAA
SCHEMBL22353121 0.72 RAB9A (0.49) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL453506 0.71 KDM4E (0.48) SMN1; SMN2LMNAKDM4EALDH1A1GAA
SCHEMBL28116018 0.69 TDP1 (0.50) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL28264084 0.69 TDP1 (0.50) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL28187393 0.68 ADORA2A (0.47) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL12730348 0.66 HSD17B10 (0.47) HDAC1HDAC2HDAC3LMNAMEN1

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 HDAC1 886/4885HDAC2 1393/4885SMN1; SMN2 3611/4885

“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.