SCHEMBL4515832

SCHEMBL4515832

CCC(CC)n1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 3/20 0.57
CCNK O75909 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CDK9 P50750 1/20 0.57
CDK6 Q00534 1/20 0.57
CDK4 P11802 2/20 0.54
CCND1 P24385 2/20 0.54
CCND2 P30279 2/20 0.54
SYK P43405 1/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
JAK3 P52333 9/20 0.49
JAK2 O60674 8/20 0.49
EGFR P00533 1/20 0.48
BRD4 O60885 4/20 0.48
PTK2 Q05397 2/20 0.46

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
SCHEMBL7706847 0.87 ALK (0.58) CDK2CDK4CCND1SYKJAK3
SCHEMBL11977054 0.87 SYK (0.55) CCND3CCNA2CDK2CDK4CCND1
SCHEMBL4192080 0.83 CCND3 (0.55) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL7713198 0.82 CDK4 (0.62) CCND3CCNA2CDK2CDK4CCND1
SCHEMBL11976967 0.82 CCND3 (0.53) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL11976969 0.81 CDK4 (0.68) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL4195694 0.80 CDK4 (0.50) CCND3CCNA2CDK2CDK4CCND1
SCHEMBL4200615 0.80 CDK4 (0.49) CCND3CCNA2CDK2CDK9CDK6
SCHEMBL4342366 0.80 CDK4 (0.60) CCND3CCNA2CDK2CDK6CDK4
SCHEMBL11977039 0.79 JAK3 (0.58) CDK2CDK4CCND1SYKJAK3

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
EP-2029145-B1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2017-01-25 EP 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-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 CCND3 782/4885CCNK 73/4885CCNA2 213/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CCND3 782/4885CCNK 73/4885CCNA2 213/4885

“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.