SCHEMBL3526563

SCHEMBL3526563

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
MAPK1 P28482 1/20 0.34
LGALS1 P09382 1/20 0.34
P2RX4 Q99571 1/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3525261 0.94 P2RX4 (0.42) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL3523595 0.81 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1P2RX4
SCHEMBL3518228 0.80 CYP3A4 (0.45) ALDH1A1RAB9AKCNH2SMN1; SMN2
SCHEMBL3524480 0.74 PLA2G1B (0.47) MEN1KMT2ARAB9ACYP1A2PKM
SCHEMBL3520643 0.73 ALDH1A1 (0.48) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL3522563 0.71 MEN1 (0.48) MEN1KMT2APOLBMAPT
SCHEMBL3523394 0.68 SMN1; SMN2 (0.52) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL15033601 0.64 MAPK1 (0.59) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL10401767 0.63 SMN1; SMN2 (0.54) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL3524598 0.63 P2RX7 (0.47) MEN1KMT2APOLBALDH1A1CYP1A2

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 MEN1 3915/4885KMT2A 3940/4885TP53 867/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MEN1 4074/4885KMT2A 4243/4885TP53 1755/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MEN1 3915/4885KMT2A 3940/4885TP53 867/4885

“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.