SCHEMBL3521682

SCHEMBL3521682

O=c1c(Br)c(/C=C/c2ccc(F)cc2)ncn1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL3521685 1.00 MAPK14 (0.52) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL4380020 0.80 MAPK14 (0.59) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL4380023 0.80 MAPK14 (0.59) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL3525282 0.79 MAPK14 (0.56) MAPK14MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3524971 0.77 MAPK14 (0.53) MAPK14MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3521534 0.76 MAPK14 (0.67) MAPK14MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3521113 0.74 MAPK14 (0.58) MAPK14MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3517699 0.74 MAPK14 (0.50) MAPK14MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3523270 0.74 MAPK14 (0.49) MAPK14MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL3526494 0.74 MAPK14 (0.49) MAPK14MAPTALDH1A1SMN1; SMN2HPGD

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 38/4885HDAC3 2200/4885HDAC4 3391/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885HDAC3 2189/4885HDAC4 2717/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885HDAC3 2200/4885HDAC4 3391/4885

“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.