Methane

Methane

SCHEMBL4833438

C.CC(C)(C)OC(=O)Nc1cc2cnc3nc2n(c1=O)C1CCCC1[S+]3[O-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OGFRL1 Q5TC84 2/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
METAP1 P53582 1/20 0.32
CCND1 P24385 13/20 0.32
CDK4 P11802 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
CCNE1 P24864 13/20 0.32
CDK2 P24941 13/20 0.32
CDK6 Q00534 12/20 0.32
DGAT1 O75907 1/20 0.31
OPRK1 P41145 1/20 0.31
RORC P51449 1/20 0.31

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 SCHEMBL4830609 0.75 CDK2 (0.43) CCND1CDK4CCND2CCND3CCNE1
SCHEMBL4833424 0.73 OPRM1 (0.41) OPRM1OPRD1OGFRL1CCND1CDK4
SCHEMBL29594767 0.73 OPRM1 (0.42) OPRM1OPRD1OGFRL1CCND1CDK4
SCHEMBL4826111 0.73 OPRM1 (0.42) OPRM1OPRD1OGFRL1CCND1CDK4
Methane SCHEMBL4833545 0.71 CDK4 (0.40) CCND1CDK4CCND2CCND3
SCHEMBL24711166 0.69 CCNE1 (0.43) CCND1CDK4CCND3CCNE1CDK2
Methane SCHEMBL6943814 0.68 CDK4 (0.40) CCND1CDK4CCND2CCND3CDK6
Methane SCHEMBL5900452 0.67 CCNE1 (0.33) CCND1CDK4CCNE1CDK2CDK6
Methane SCHEMBL5900369 0.67 CCNE1 (0.37) CCND1CDK4CCNE1CDK2CDK6
SCHEMBL30577928 0.63 OPRM1 (0.41) OPRM1OPRD1OGFRL1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456168-B2 2-(pyridin-2-ylamino)-pyrido[2,3, d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2008-11-25 US disclosed
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY 2007-08-02 US disclosed
US-7208489-B2 Inhibitors of cyclin-dependent kinases 4 (cdk4); treating proliferative disorders such as cancer; salt of 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one for example WARNER-LAMBERT COMPANY (US) 2007-04-24 US disclosed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP disclosed
US-6936612-B2 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2005-08-30 US disclosed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 US disclosed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP disclosed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US disclosed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 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 (3 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-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 OPRM1 4687/4885OPRD1 3638/4885OGFRL1 4148/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 OPRM1 4768/4885OPRD1 3760/4885OGFRL1 4273/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 OPRM1 4733/4885OPRD1 3764/4885OGFRL1 4258/4885

“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.