SCHEMBL23767830

SCHEMBL23767830

CN(C)C(O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)N5CCCC5)CC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.64
CDK4 P11802 16/20 0.64
CCND1 P24385 6/20 0.61
CDK2 P24941 5/20 0.61
CCND3 P30281 5/20 0.61
CDK6 Q00534 2/20 0.61
CCNA2 P20248 2/20 0.61
GAK O14976 1/20 0.61
CCNT1 O60563 1/20 0.61
FECH P22830 1/20 0.61
CDK9 P50750 1/20 0.61
CDK16 Q00536 1/20 0.61
MAP3K1 Q13233 1/20 0.61
CAMK2G Q13555 1/20 0.61
CAMK2D Q13557 1/20 0.61
Q6ZSR9 Q6ZSR9 1/20 0.61
PRKD2 Q9BZL6 1/20 0.61
SIK2 Q9H0K1 1/20 0.61
HDAC1 Q13547 1/20 0.58
CCND2 P30279 2/20 0.56

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
SCHEMBL19118527 0.87 CDK4 (0.71) CDK1CDK4CCND1CDK2CCND3
SCHEMBL30176589 0.86 CDK4 (0.81) CDK1CDK4CCND1CDK2CCND3
SCHEMBL303561 0.86 CDK4 (0.81) CDK1CDK4CCND1CDK2CCND3
SCHEMBL20228948 0.86 CDK1 (0.66) CDK1CDK4CCND1CDK2CCND3
SCHEMBL20228956 0.86 CDK1 (0.66) CDK1CDK4CCND1CDK2CCND3
SCHEMBL20228960 0.86 CDK4 (0.65) CDK1CDK4CCND1CDK2CCND3
SCHEMBL27312384 0.86 CDK4 (0.55) CDK1CDK4CCND1CDK2CCND3
SCHEMBL1989773 0.86 CDK4 (0.80) CDK1CDK4CCND1CDK2CCND3
SCHEMBL29507401 0.85 CDK4 (0.71) CDK1CDK4CCND1CDK2CCND3
Dimethylamine SCHEMBL28726012 0.85 CDK4 (0.68) CDK1CDK4CCND1CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2021-08-19 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-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK4 5/4885CCND1 46/4885

“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.