SCHEMBL3524201

SCHEMBL3524201

Cc1ccc(Cn2cnc(OCc3ccccc3)cc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
NPC1 O15118 1/20 0.54
MAPK14 Q16539 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MMP13 P45452 1/20 0.42
DAPK1 P53355 1/20 0.42
GRM5 P41594 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3524513 1.00 HTT (0.54) HTTNPC1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3521393 0.92 MAPK14 (0.58) HTTMAPK14SMN1; SMN2ALDH1A1CYP11B1
SCHEMBL3522830 0.88 MAPK14 (0.52) HTTMAPK14SMN1; SMN2ALDH1A1CYP11B1
SCHEMBL3522944 0.87 SMN1; SMN2 (0.52) MAPK14SMN1; SMN2ALDH1A1LMNACYP11B1
SCHEMBL3522628 0.87 MAPK14 (0.51) HTTNPC1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3521499 0.86 MAPK14 (0.48) HTTNPC1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3520539 0.86 MAPK14 (0.48) HTTNPC1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3524992 0.85 MAPK14 (0.47) HTTNPC1MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3522538 0.84 MAPK14 (0.48) MAPK14SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3522415 0.84 MMP13 (0.51) MAPK14CYP11B1CYP11B2PKMMMP13

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 13 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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
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-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 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-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 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-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 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 HTT 3856/4885NPC1 2314/4885MAPK14 38/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 HTT 4322/4885NPC1 1713/4885MAPK14 29/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HTT 3856/4885NPC1 2314/4885MAPK14 38/4885

“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.