SCHEMBL13249874

SCHEMBL13249874

CSc1ccc(C(=O)N2CCc3c(nc(C)n(C(c4ccccc4)c4ccccc4)c3=O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 7/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 1/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ MTOR P42345 3/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ PRLHR P49683 1/20 0.35

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
SCHEMBL13249831 0.91 MTHFD2 (0.46) MTHFD2MAOBCDK4CCND1GRM5
SCHEMBL13249858 0.89 PRLHR (0.45) MTHFD2GRM5P2RX7PRLHR
SCHEMBL14047859 0.89 MTHFD2 (0.45) MTHFD2MAOBCDK4CCND1GRM5
SCHEMBL13249859 0.87 USP2 (0.49) MTHFD2ALDH1A1HPGDKMT2ACDK4
SCHEMBL13250445 0.86 P2RX7 (0.45) MTHFD2P2RX7PRLHR
SCHEMBL13249851 0.86 GRM5 (0.44) MTHFD2GRM5PRLHR
SCHEMBL13249878 0.85 KMT2A (0.49) MTHFD2ALDH1A1KMT2AP2RX7
SCHEMBL13250446 0.84 PRLHR (0.47) MTHFD2P2RX7PRLHR
SCHEMBL13249840 0.83 MTHFD2 (0.39) MTHFD2ALDH1A1HPGDKMT2AMAOB
SCHEMBL13249850 0.83 MTHFD2 (0.39) MTHFD2ALDH1A1KMT2AMAOBGRM5

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 MTHFD2 1349/4885ALDH1A1 973/4885HPGD 652/4885

“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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