SCHEMBL11977083

SCHEMBL11977083

Cc1cn(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.69
CCND1 P24385 14/20 0.69
CCND2 P30279 12/20 0.69
CCND3 P30281 12/20 0.69
CSF1R P07333 2/20 0.61
CDK1 P06493 3/20 0.60
AURKA O14965 3/20 0.60
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
SRC P12931 1/20 0.60
PDGFRA P16234 1/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
KDR P35968 1/20 0.60
CDK7 P50613 1/20 0.60
NTRK2 Q16620 1/20 0.60
NUAK1 O60285 2/20 0.59
CCNB2 O95067 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59

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
SCHEMBL7708879 0.93 CSF1R (0.71) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL7710738 0.92 CDK4 (0.70) CDK4CCND1CCND2CCND3CDK1
SCHEMBL7714624 0.92 CDK4 (0.70) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL11977115 0.92 CDK4 (0.70) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL7713061 0.91 CDK4 (0.71) CDK4CCND1CCND2CCND3CDK1
SCHEMBL7706862 0.89 CDK4 (0.73) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL11977089 0.88 CSF1R (0.59) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL11977087 0.88 CDK4 (0.55) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL7710732 0.88 CDK4 (0.74) CDK4CCND1CCND2CCND3CSF1R
SCHEMBL7712735 0.88 WEE1 (0.66) CDK4CCND1CCND2CCND3CSF1R

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 6 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-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
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 CDK4 4/4885CCND1 615/4885CCND2 629/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885CCND1 615/4885CCND2 629/4885

“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.