SCHEMBL11976972

SCHEMBL11976972

CCC(CC)n1cc(C(=O)OC)c2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.53
ALK Q9UM73 2/20 0.52
CDK4 P11802 2/20 0.51
CCND1 P24385 2/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CCND2 P30279 1/20 0.50
CCND3 P30281 1/20 0.50

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
SCHEMBL11977218 0.89 CDK4 (0.55) CDK4CCND1CCNE1CDK2CCND2
SCHEMBL4191359 0.88 CDK4 (0.59) SYKALKCDK4CCND1CCNE1
SCHEMBL7706847 0.81 ALK (0.58) SYKALKCDK4CCND1CCNE1
SCHEMBL4189207 0.81 ALK (0.57) SYKALKCDK4CCND1CCNE1
SCHEMBL4195845 0.80 CDK4 (0.56) SYKALKCDK4CCND1CCNE1
SCHEMBL11976965 0.76 CDK4 (0.53) SYKALKCDK4CCND1CCNE1
SCHEMBL20418753 0.76 CDK4 (0.49) ALKCDK4CCND1CCND2CCND3
SCHEMBL4186969 0.76 ALK (0.56) SYKALKCDK4CCND1CCNE1
SCHEMBL11977036 0.76 CDK4 (0.54) SYKALKCDK4CCND1CCNE1
SCHEMBL7714506 0.76 CCND3 (0.55) CDK4CCND1CCNE1CDK2CCND2

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 7 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
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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 (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 SYK 1001/4885ALK 794/4885CDK4 4/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP SYK 1001/4885ALK 794/4885CDK4 4/4885

“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.