SCHEMBL13250488

SCHEMBL13250488

Nc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(Cl)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
GRM2 Q14416 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL13271563 0.85 KMT2A (0.37) HTR2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13250489 0.80 F12 (0.36) ALDH1A1GRM2KMT2AKDM4EMEN1
SCHEMBL14047906 0.78 CACNA2D1 (0.41) GRM2KMT2AMEN1P2RX7CACNA2D1
SCHEMBL14046797 0.78 MAPT (0.44) HTR2AALDH1A1NPSR1KMT2AKDM4E
SCHEMBL13250389 0.77 ALDH1A1 (0.35) ALDH1A1LMNAHTTTSHRNPSR1
SCHEMBL13250306 0.77 CNR1 (0.47) ALDH1A1LMNAHTTNPSR1KDM4E
SCHEMBL13250269 0.77 CLPP (0.49) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL14047840 0.77 SIGMAR1 (0.39) HTR2AKMT2AMEN1
SCHEMBL13250046 0.77 PARP1 (0.47) KDM4EMAPT
SCHEMBL13250275 0.77 PTGDR2 (0.40) ALDH1A1NPSR1KMT2AMEN1MAPT

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 3 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
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO 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 HTR2A 227/4885ALDH1A1 973/4885LMNA 3496/4885

“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.