SCHEMBL13249869

SCHEMBL13249869

COc1ccccc1C(=O)N1CCc2c(nc(C)n(C(c3ccccc3)c3ccccc3)c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ TSHR P16473 2/20 0.42
▸ P2RX7 Q99572 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL13249862 0.87 P2RX7 (0.52) HTTP2RX7ALDH1A1HPGDLMNA
SCHEMBL13249831 0.85 MTHFD2 (0.46) P2RX7GRM5
SCHEMBL14047860 0.85 P2RX7 (0.42) HTTP2RX7KDM4ECYP3A4NPSR1
SCHEMBL13249878 0.85 KMT2A (0.49) HTTP2RX7KDM4ENPSR1ALDH1A1
SCHEMBL13249859 0.85 USP2 (0.49) CYP3A4GRM5CYP2C9ALDH1A1MAPT
SCHEMBL13249785 0.84 CYP2D6 (0.43) TSHRP2RX7CYP3A4CYP2C9CYP2C19
SCHEMBL13249882 0.84 P2RX7 (0.52) P2RX7
SCHEMBL13249829 0.83 KMT2A (0.44) TSHRP2RX7CYP3A4GRM5CYP2C9
SCHEMBL13249864 0.83 GRM5 (0.49) CYP3A4GRM5PDE4BALDH1A1HPGD
SCHEMBL13249786 0.81 TSHR (0.45) TSHRKDM4EHSD17B10ALDH1A1GAA

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 HTT 1931/4885TSHR 1056/4885P2RX7 105/4885

“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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