Methane

Methane

SCHEMBL4833710

C.O=c1c(Br)cc2cnc3nc2n1C1CCCCC1[S+]3[O-]

nearest known ligand 0.45

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 9/20 0.45
CDK4 P11802 8/20 0.45
CDK2 P24941 7/20 0.45
CCNA2 P20248 5/20 0.45
CCND2 P30279 3/20 0.43
CCND3 P30281 3/20 0.43
FGFR1 P11362 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
CCNA1 P78396 2/20 0.39
NUAK1 O60285 1/20 0.31
CCNE1 P24864 2/20 0.30
CDK6 Q00534 2/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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 SCHEMBL4830609 0.98 CDK2 (0.43) CCND1CDK4CDK2CCNA2CCND2
Methane SCHEMBL4826692 0.83 CDK2 (0.37) CCND1CDK4CDK2CCNA2CCND2
Methane SCHEMBL4828675 0.83 CDK2 (0.44) CCND1CDK4CDK2CCNA2CCND2
Methane SCHEMBL28575123 0.81 NUAK1 (0.43) CCND1CDK4CDK2CCNA2FGFR1
Methane SCHEMBL4875868 0.79 CCND1 (0.43) CCND1CDK4CDK2CCNA2CCND2
Methane SCHEMBL5262725 0.78 CCND1 (0.44) CCND1CDK4CDK2CCNA2CCND2
Methane SCHEMBL4826066 0.78 CCND1 (0.49) CCND1CDK4CDK2CCNA2CCND2
Methane SCHEMBL28462333 0.78 CCNE1 (0.31) CCND1CDK2CCNE1CDK6
Methane SCHEMBL28475491 0.77 CCNE1 (0.31) CCND1CDK2CCNE1CDK6
Methane SCHEMBL5900452 0.77 CCNE1 (0.33) CCND1CDK4CDK2CCNE1CDK6

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 CCND1 27/4885CDK4 1/4885CDK2 2/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 CCND1 35/4885CDK4 1/4885CDK2 2/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CCND1 34/4885CDK4 1/4885CDK2 2/4885

“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.