Methane

Methane

SCHEMBL985054

C.CC(C)C[C@H](NC(=O)Nc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1)C(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
FPR2 P25090 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
EIF2S1 P05198 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
MAPT P10636 1/20 0.36
NTSR1 P30989 2/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
ACHE P22303 1/20 0.34
KCNN4 O15554 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
Methane SCHEMBL4406328 0.94 TP53 (0.42) DGAT1FPR2TP53MAPK1EIF2S1
SCHEMBL27918461 0.94 EIF2S1 (0.36) DGAT1MAPK1EIF2S1EIF2AK3KDR
SCHEMBL985051 0.92 CA12 (0.41) EIF2S1EIF2AK3KDRAURKBKCNN4
Methane SCHEMBL982614 0.90 EIF2S1 (0.37) DGAT1MAPK1LMNAEIF2S1EIF2AK3
SCHEMBL28805613 0.88 FYN (0.41) TP53MAPK1EIF2S1EIF2AK3
SCHEMBL27900727 0.87 EIF2S1 (0.36) MAPK1EIF2S1EIF2AK3KDRAURKB
SCHEMBL14398638 0.86 FYN (0.38) TP53EIF2S1EIF2AK3
SCHEMBL4406324 0.86 CA12 (0.44) TP53MAPK1EIF2S1EIF2AK3KCNN4
SCHEMBL985141 0.86 KIT (0.41) KDRAURKBKCNN4
SCHEMBL982611 0.85 KDR (0.38) MAPK1EIF2S1EIF2AK3KDRAURKB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 DGAT1 4119/4885FPR2 3773/4885TP53 424/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 DGAT1 4119/4885FPR2 3773/4885TP53 424/4885

“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.