SCHEMBL13756837

SCHEMBL13756837

CN1CCN(C(=O)c2ccc(N3CCc4cnc(Nc5ccc(F)cc5)nc43)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.56
▸ CCNT1 O60563 2/20 0.56
▸ CCNE1 P24864 2/20 0.56
▸ CDK9 P50750 2/20 0.56
▸ CCNA2 P20248 2/20 0.55
▸ NTRK1 P04629 2/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ CDK1 P06493 3/20 0.51
▸ CAMK2D Q13557 1/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ PDGFRA P16234 2/20 0.47
▸ AXL P30530 2/20 0.46
▸ SRC P12931 3/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ WEE1 P30291 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ JAK2 O60674 2/20 0.45

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
SCHEMBL13756838 0.92 GRM5 (0.53) CDK2CCNT1CCNE1CDK9CCNA2
SCHEMBL13756839 0.90 JAK2 (0.55) CDK2CCNT1CCNE1CDK9CCNA2
SCHEMBL13756799 0.87 CDK2 (0.53) CDK2CCNT1CCNE1CDK9CCNA2
SCHEMBL13756767 0.87 CDK2 (0.46) CDK2CCNT1CCNE1CDK9CCNA2
SCHEMBL13756776 0.87 PDGFRB (0.52) CDK2CCNT1CCNE1CDK9CCNA2
SCHEMBL13756756 0.79 PTGS2 (0.48) CDK2CCNT1CCNE1CDK9CDK1
SCHEMBL1655879 0.79 JAK2 (0.65) CDK2CCNT1CCNE1CDK9NTRK1
SCHEMBL13756768 0.79 NUAK1 (0.44) CDK2CCNT1CCNE1CDK9CCNA2
SCHEMBL13756809 0.78 LRRK2 (0.53) CDK2CCNA2NTRK1PDGFRBPDGFRA
SCHEMBL13756696 0.78 CSF1R (0.46) CDK2CCNT1CCNE1CDK9CCNA2

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CDK2 77/4885CCNT1 799/4885CCNE1 730/4885

“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.

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