SCHEMBL3525261

SCHEMBL3525261

CN(C)CCCNC(=O)N1C=CC(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.42
KCNH2 Q12809 1/20 0.40
CXCL8 P10145 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NAMPT P43490 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3526563 0.94 MEN1 (0.41) P2RX4KCNH2MEN1KMT2ALIPG
SCHEMBL3523595 0.79 ALDH1A1 (0.42) P2RX4MEN1KMT2AHPGDSIGMAR1
SCHEMBL3518228 0.78 CYP3A4 (0.45) KCNH2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL3524480 0.73 PLA2G1B (0.47) MEN1KMT2AHPGDCYP3A4CYP2D6
SCHEMBL3520643 0.71 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL3522563 0.69 MEN1 (0.48) MEN1KMT2ANAMPTHPGDCYP2C19
SCHEMBL3523394 0.66 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15033595 0.66 HPGD (0.55) KCNH2CXCL8MEN1KMT2AHPGD
SCHEMBL10608930 0.62 SCD (0.43) P2RX4CXCL8NAMPTSIGMAR1
SCHEMBL3524598 0.62 P2RX7 (0.47) MEN1KMT2ACYP3A4CYP2C19ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 P2RX4 589/4885KCNH2 3420/4885CXCL8 127/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 P2RX4 982/4885KCNH2 3161/4885CXCL8 151/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 P2RX4 589/4885KCNH2 3420/4885CXCL8 127/4885

“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.