SCHEMBL11977089

SCHEMBL11977089

Cc1cn(C2CCCC2)c2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)ncc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.59
CDK4 P11802 14/20 0.59
CCND1 P24385 12/20 0.59
CCND2 P30279 12/20 0.59
CCND3 P30281 12/20 0.59
NUAK1 O60285 2/20 0.59
MARK3 P27448 1/20 0.59
MARK2 Q7KZI7 1/20 0.59
MARK4 Q96L34 1/20 0.59
NUAK2 Q9H093 1/20 0.59
MARK1 Q9P0L2 1/20 0.59
CDK1 P06493 2/20 0.56
CCNB2 O95067 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
FGFR1 P11362 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
FGFR3 P22607 1/20 0.56
AURKA O14965 2/20 0.55

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
SCHEMBL11977091 0.90 CDK4 (0.58) CDK4CCND1CCND2CCND3CDK1
SCHEMBL7714624 0.89 CDK4 (0.70) CSF1RCDK4CCND1CCND2CCND3
SCHEMBL11977083 0.88 CDK4 (0.69) CSF1RCDK4CCND1CCND2CCND3
SCHEMBL7708879 0.88 CSF1R (0.71) CSF1RCDK4CCND1CCND2CCND3
SCHEMBL11977115 0.87 CDK4 (0.70) CSF1RCDK4CCND1CCND2CCND3
SCHEMBL7710732 0.86 CDK4 (0.74) CSF1RCDK4CCND1CCND2CCND3
SCHEMBL7713061 0.86 CDK4 (0.71) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7706862 0.85 CDK4 (0.73) CSF1RCDK4CCND1CCND2CCND3
SCHEMBL7710738 0.85 CDK4 (0.70) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7712735 0.84 WEE1 (0.66) CSF1RCDK4CCND1CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CSF1R 4378/4885CDK4 4/4885CCND1 615/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CSF1R 4378/4885CDK4 4/4885CCND1 615/4885

“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.