SCHEMBL13249907

SCHEMBL13249907

COC(C(=O)N1CCc2c(nc(C)n(C(c3ccccc3)c3ccccc3)c2=O)C1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.37
▸ RET P07949 5/20 0.36
▸ AURKA O14965 3/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ NTRK1 P04629 3/20 0.36
▸ FGFR1 P11362 3/20 0.36
▸ AURKB Q96GD4 3/20 0.36
▸ BCR P11274 2/20 0.36
▸ PLK4 O00444 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ LCK P06239 2/20 0.36
▸ FYN P06241 2/20 0.36
▸ FES P07332 2/20 0.36
▸ LYN P07948 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ PHKG2 P15735 2/20 0.36
▸ FER P16591 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ MARK3 P27448 2/20 0.36

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
SCHEMBL13249785 0.87 CYP2D6 (0.43) TSHRP2RX7MTHFD2CCR5LMNA
SCHEMBL13249856 0.87 PTGDR2 (0.38) P2RX7MTHFD2CCR5KMT2ALMNA
SCHEMBL13249920 0.87 ROCK2 (0.37) RETAURKAAURKBALKKDM4E
SCHEMBL13249829 0.85 KMT2A (0.44) ALDH1A1TSHRP2RX7CCR5KMT2A
SCHEMBL13249922 0.85 KMT2A (0.41) RETKDM4EALDH1A1TSHRHSD17B10
SCHEMBL13249868 0.84 HPGD (0.44) CHRM1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL13249891 0.84 CYP3A4 (0.46) ALDH1A1TSHRMAPK1CCR5KMT2A
SCHEMBL13249786 0.84 TSHR (0.45) KDM4EALDH1A1TSHRHSD17B10MAPK1
SCHEMBL13249831 0.83 MTHFD2 (0.46) P2RX7MTHFD2
SCHEMBL13249795 0.83 MGLL (0.47) ALDH1A1TSHR

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 — — US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 — — 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 RAB9A 1236/4885RET 785/4885AURKA 4444/4885

“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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