SCHEMBL13616064

SCHEMBL13616064

CN1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC4)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.61
CDK1 P06493 3/20 0.61
SRC P12931 2/20 0.61
KDR P35968 2/20 0.61
PDGFRB P09619 2/20 0.61
CDK7 P50613 2/20 0.61
AURKA O14965 1/20 0.61
INSR P06213 1/20 0.61
PDGFRA P16234 1/20 0.61
FLT1 P17948 1/20 0.61
FLT4 P35916 1/20 0.61
NTRK2 Q16620 1/20 0.61
CCND1 P24385 8/20 0.59
CCNT1 O60563 2/20 0.59
CDK9 P50750 2/20 0.59
CCND2 P30279 4/20 0.59
CCND3 P30281 4/20 0.59
CCNE1 P24864 4/20 0.59
CDK2 P24941 4/20 0.59
CCNE2 O96020 3/20 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
SCHEMBL13616460 0.88 CDK4 (0.58) CDK4CDK1CCND1CCND2CCND3
SCHEMBL13616186 0.88 CDK4 (0.68) CDK4CDK1CDK7CCND1CCNT1
SCHEMBL13616301 0.84 CDK4 (0.62) CDK4CDK1CCND1CCNT1CDK9
SCHEMBL17396455 0.83 CDK4 (0.61) CDK4CDK1SRCKDRPDGFRB
SCHEMBL11976974 0.82 RPS6KA6 (0.59) CDK4CDK1SRCKDRPDGFRB
SCHEMBL13616293 0.82 CDK4 (0.60) CDK4CDK1SRCKDRPDGFRB
SCHEMBL13616280 0.81 ALK (0.56) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL7715488 0.81 RPS6KA6 (0.64) CDK4CDK1SRCKDRPDGFRB
SCHEMBL7714435 0.80 RPS6KA6 (0.63) CDK4CDK1SRCKDRPDGFRB
SCHEMBL25046172 0.79 CDK4 (0.59) CDK4CDK1SRCKDRPDGFRB

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 2 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-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 (1 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 4/4885CDK1 44/4885SRC 419/4885

“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.