SCHEMBL13249779

SCHEMBL13249779

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(Cc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
STARD3 Q14849 1/20 0.41
DRD4 P21917 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
GNRHR P30968 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL13329094 0.93 CCR2 (0.44) CCR2DRD4MEN1KMT2ABCHE
SCHEMBL13249774 0.89 PARP1 (0.45) DRD4MEN1KMT2ADRD2KDM4E
SCHEMBL13249775 0.86 CCR2 (0.45) CCR2GNRHRKDM4EALDH1A1
SCHEMBL13249777 0.85 CLPP (0.46) CCR2DRD4GNRHRDRD2KDM4E
SCHEMBL13249817 0.84 CLPP (0.48) DRD4ACHEDRD2KDM4EALDH1A1
SCHEMBL13249773 0.84 CLPP (0.49) DRD4BCHEACHEBACE1GNRHR
SCHEMBL13249826 0.84 MAPT (0.41) CCR2KMT2AACHEGNRHRKDM4E
SCHEMBL13249835 0.84 CLPP (0.46) DRD4MEN1KMT2ADRD2HTR2A
SCHEMBL13249807 0.83 MGLL (0.40) SIGMAR1ALDH1A1
SCHEMBL13249825 0.82 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1

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-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 CCR2 134/4885STARD3 2839/4885DRD4 1548/4885

“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.