SCHEMBL13249868

SCHEMBL13249868

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)C(C)Oc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.44
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CHRM1 P11229 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL13249856 0.87 PTGDR2 (0.38) KMT2ALMNAP2RX7
SCHEMBL13249795 0.85 MGLL (0.47) TSHRALDH1A1
SCHEMBL13249922 0.85 KMT2A (0.41) HSD17B10TSHRKMT2AMEN1ALDH1A1
SCHEMBL13249920 0.85 ROCK2 (0.37) HSD17B10TSHRKMT2AALDH1A1KDM4E
SCHEMBL13249907 0.84 RAB9A (0.37) HSD17B10CHRM1TSHRKMT2AALDH1A1
SCHEMBL13249829 0.84 KMT2A (0.44) TSHRKMT2AALDH1A1LMNAP2RX7
SCHEMBL13249783 0.83 PTGDR2 (0.35) PARP1LMNAP2RX7TP53
SCHEMBL13249785 0.83 CYP2D6 (0.43) TSHRPARP1LMNAP2RX7TP53
SCHEMBL13249873 0.83 MEN1 (0.45) HPGDHSD17B10TSHRKMT2AMEN1
SCHEMBL13249895 0.83 CCR5 (0.36) HSD17B10TSHRKMT2AMEN1ALDH1A1

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 HPGD 652/4885ALOX15 1183/4885HSD17B10 1066/4885

“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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