SCHEMBL31220649

SCHEMBL31220649

CC(C)(C)OC(=O)NCCOCCN[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C(=O)O)ccc34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNK O75909 17/20 0.47
CDK12 Q9NYV4 17/20 0.47
CCNE1 P24864 15/20 0.47
CDK2 P24941 15/20 0.47
CCNT1 O60563 13/20 0.47
CDK9 P50750 13/20 0.47
CDK7 P50613 12/20 0.47
CCNH P51946 12/20 0.47
MNAT1 P51948 9/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL25364937 0.94 CCNK (0.46) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30457352 0.94 CCNK (0.46) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30457162 0.94 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25364577 0.94 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25363171 0.93 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25363407 0.92 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30456525 0.92 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30456324 0.91 CCNK (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25363678 0.91 CCNK (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL31220468 0.90 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1

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-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine INSILICO MEDICINE IP LIMITED (HK) 2025-05-08 US disclosed
EP-4455132-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Insilico Medicine IP Limited (HK) 2024-10-30 EP 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-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine DPYD, TYMP, NUDT1 CCNK 174/4885CDK12 98/4885CCNE1 315/4885

“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.