Methane

Methane

SCHEMBL989288

C.CC(=O)Nc1nc2ccc(-c3cnc(Br)n3-c3ccccc3)cc2n1CC(C)C

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CA P42336 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RORC P51449 1/20 0.36
NPC1 O15118 1/20 0.36
MCHR1 Q99705 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL990046 0.74 KDM4E (0.46) CYP1A2CYP2C9CYP2C19EGFRPOLB
SCHEMBL989407 0.73 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19EGFRPOLB
SCHEMBL989289 0.68 RORC (0.34) CYP1A2CYP2C9CYP2C19EGFRPOLB
SCHEMBL5351831 0.62 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19POLBKDM4E
SCHEMBL5342123 0.60 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19POLBKDM4E
SCHEMBL8423594 0.60 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19POLBKDM4E
SCHEMBL988471 0.59 CYP2C19 (0.44) CYP1A2CYP2C9CYP2C19POLBKDM4E
SCHEMBL988473 0.59 CYP2C19 (0.44) CYP1A2CYP2C9CYP2C19POLBKDM4E
SCHEMBL18271764 0.59 HDAC6 (0.66) KDM4ELMNAHTTSMN1; SMN2MEN1
SCHEMBL2920109 0.59 POLB (0.43) CYP1A2CYP2C9CYP2C19EGFRPOLB

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 CYP1A2 3740/4885CYP2C9 3799/4885CYP2C19 2471/4885

“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.