SCHEMBL989289

SCHEMBL989289

CC(=O)Nc1nc2ccc(-c3cncn3C3(C)C=CC=CC3Br)cc2n1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
EGFR P00533 1/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
WNT1 P04628 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
TNF P01375 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALK Q9UM73 1/20 0.31
NOD1 Q9Y239 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Methane SCHEMBL989288 0.68 CYP1A2 (0.41) RORCEGFRPOLBHTTLMNA
SCHEMBL989407 0.65 CYP1A2 (0.41) RORCEGFRPOLBHTTLMNA
SCHEMBL990046 0.65 KDM4E (0.46) EGFRPOLBHTTLMNASMN1; SMN2
SCHEMBL5351831 0.53 CYP1A2 (0.75) POLBHTTLMNASMN1; SMN2TNF
SCHEMBL14247557 0.52 NPC1 (0.50) DYRK1APOLBHTTLMNASMN1; SMN2
SCHEMBL988473 0.52 CYP2C19 (0.44) POLBHTTLMNASMN1; SMN2TNF
SCHEMBL988471 0.52 CYP2C19 (0.44) POLBHTTLMNASMN1; SMN2TNF
SCHEMBL24329592 0.51 MEN1 (0.51) DYRK1APOLBHTTLMNASMN1; SMN2
SCHEMBL990105 0.50 B3GNT2 (0.43) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8423594 0.50 CYP1A2 (1.00) POLBHTTLMNASMN1; SMN2TNF

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 2 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

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 RORC 2246/4885EGFR 256/4885GSK3B 288/4885

“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.