SCHEMBL13756799

SCHEMBL13756799

CN1CCN(C(=O)c2ccc(N3CCc4cnc(Nc5ccc(F)cc5)nc43)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.53
▸ CCNT1 O60563 3/20 0.53
▸ CCNE1 P24864 3/20 0.53
▸ CDK9 P50750 3/20 0.53
▸ CDK4 P11802 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ NTRK1 P04629 2/20 0.45
▸ NUAK1 O60285 1/20 0.45
▸ CCNA2 P20248 2/20 0.44
▸ CDK1 P06493 3/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ EGFR P00533 2/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 2/20 0.41

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
SCHEMBL13756696 0.90 CSF1R (0.46) CDK2CCNT1CCNE1CDK9CDK4
SCHEMBL13756837 0.87 CDK2 (0.56) CDK2CCNT1CCNE1CDK9CDK4
SCHEMBL13756768 0.86 NUAK1 (0.44) CDK2CCNT1CCNE1CDK9CDK4
SCHEMBL1655112 0.81 RPS6KA3 (0.57) CDK2CCNT1CCNE1CDK9CDK4
SCHEMBL13756838 0.80 GRM5 (0.53) CDK2CCNT1CCNE1CDK9NTRK1
SCHEMBL13756888 0.80 CSF1R (0.43) CDK4NTRK1EPHX2CSF1RFLT3
SCHEMBL13756767 0.78 CDK2 (0.46) CDK2CCNT1CCNE1CDK9CDK4
SCHEMBL13756769 0.78 NUAK1 (0.54) CDK2CDK4CCND1NUAK1CCNA2
SCHEMBL13756839 0.78 JAK2 (0.55) CDK2CCNT1CCNE1CDK9CDK4
SCHEMBL13756776 0.77 PDGFRB (0.52) CDK2CCNT1CCNE1CDK9NTRK1

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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