SCHEMBL3519359

SCHEMBL3519359

O=c1c(Br)c(OCc2ccc(F)cc2)ncn1CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CNOT7 Q9UIV1 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL3521867 0.86 MAPK14 (0.53) MAPK14TSHRSMN1; SMN2POLBMAPT
SCHEMBL3522147 0.82 PSMB2 (0.49) MAPK14TSHRMAPTKMT2ACNOT7
SCHEMBL3521789 0.81 MAPK14 (0.50) MAPK14TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL4468353 0.81 MAPK14 (0.64) MAPK14SMN1; SMN2
SCHEMBL3522839 0.81 MAPK14 (0.57) MAPK14SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3521534 0.79 MAPK14 (0.67) MAPK14SMN1; SMN2POLBMAPTKMT2A
SCHEMBL3524527 0.78 MAPK14 (0.60) MAPK14SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3520895 0.78 EGLN3 (0.46) MAPK14TSHRSMN1; SMN2POLBMAPT
SCHEMBL3519707 0.77 MAPK14 (0.59) MAPK14SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL3521060 0.77 MAPK14 (0.49) MAPK14TSHRSMN1; SMN2KMT2AMEN1

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 MAPK14 38/4885TSHR 1455/4885SMN1; SMN2 912/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885TSHR 2512/4885SMN1; SMN2 746/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885TSHR 1455/4885SMN1; SMN2 912/4885

“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.