SCHEMBL13756838

SCHEMBL13756838

O=C(c1ccc(N2CCc3cnc(Nc4ccc(F)cc4)nc32)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.53
▸ CDK2 P24941 8/20 0.48
▸ CCNA2 P20248 4/20 0.48
▸ CCNT1 O60563 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ BTK Q06187 3/20 0.46
▸ NTRK1 P04629 3/20 0.45
▸ CDK1 P06493 2/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ JAK3 P52333 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ IKBKG Q9Y6K9 1/20 0.42

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
SCHEMBL13756837 0.92 CDK2 (0.56) CDK2CCNA2CCNT1CCNE1CDK9
SCHEMBL13756839 0.92 JAK2 (0.55) CDK2CCNA2CCNT1CCNE1CDK9
SCHEMBL13756767 0.87 CDK2 (0.46) CDK2CCNA2CCNT1CCNE1CDK9
SCHEMBL13756799 0.80 CDK2 (0.53) CDK2CCNA2CCNT1CCNE1CDK9
SCHEMBL13756776 0.79 PDGFRB (0.52) CDK2CCNA2CCNT1CCNE1CDK9
SCHEMBL13756696 0.79 CSF1R (0.46) CDK2CCNA2CCNT1CCNE1CDK9
SCHEMBL13756756 0.79 PTGS2 (0.48) CDK2CCNT1CCNE1CDK9CDK1
SCHEMBL13756809 0.78 LRRK2 (0.53) CDK2CCNA2BTKNTRK1JAK2
SCHEMBL1654494 0.77 JAK2 (0.54) GRM5CDK2CCNT1CCNE1CDK9
SCHEMBL13756757 0.77 EPHX2 (0.56) —

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 GRM5 2850/4885CDK2 77/4885CCNA2 958/4885

“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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