SCHEMBL990178

SCHEMBL990178

CC(C)CNc1cc(-c2c[nH]nc2-c2ccccc2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.40
HRH4 Q9H3N8 4/20 0.38
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 1/20 0.36
TLR7 Q9NYK1 1/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
ESR1 P03372 2/20 0.34
ACP1 P24666 1/20 0.34
MAPK14 Q16539 1/20 0.34

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 0.78 HDAC1 (0.39) HDAC1HRH4HDAC3HDAC2TLR7
SCHEMBL989412 0.69 MAPK14 (0.41) HDAC1MAPK14
SCHEMBL991919 0.68 MAPK14 (0.51) ADORA1ADORA2AMAPK14
SCHEMBL990904 0.68 MAPK14 (0.39) HDAC1HDAC2ADORA1ADORA2AMAPK14
SCHEMBL218119 0.67 ALOX15 (0.52)
SCHEMBL29922600 0.66 IDO1 (0.49) HDAC1HRH4HDAC3HDAC2TLR7
SCHEMBL3650531 0.66 IDO1 (0.49) HDAC1HRH4HDAC3HDAC2TLR7
SCHEMBL990014 0.66 TDP1 (0.39)
SCHEMBL5258225 0.66 DYRK1A (0.45) ADORA2A
SCHEMBL1341810 0.65 TDP1 (0.43) HRH4ESR1

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 886/4885HRH4 4118/4885HDAC3 1382/4885

“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.