SCHEMBL3522944

SCHEMBL3522944

O=c1cc(OCc2ccccc2)ncn1Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPK14 Q16539 2/20 0.51
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP13 P45452 1/20 0.46
GRM5 P41594 1/20 0.45
GRM3 Q14832 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MCHR1 Q99705 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3522437 0.95 MCHR1 (0.45) SMN1; SMN2MAPK14ALDH1A1HPGDCYP1A2
SCHEMBL3521393 0.92 MAPK14 (0.58) SMN1; SMN2MAPK14ALDH1A1HPGDTSHR
SCHEMBL3527707 0.89 MAPK14 (0.53) SMN1; SMN2MAPK14ALDH1A1HPGDCYP1A2
SCHEMBL3522830 0.88 MAPK14 (0.52) SMN1; SMN2MAPK14ALDH1A1HPGDTSHR
SCHEMBL3524513 0.87 HTT (0.54) SMN1; SMN2MAPK14ALDH1A1HPGDTSHR
SCHEMBL3522628 0.87 MAPK14 (0.51) SMN1; SMN2MAPK14ALDH1A1HPGDCYP11B1
SCHEMBL3524201 0.87 HTT (0.54) SMN1; SMN2MAPK14ALDH1A1HPGDTSHR
SCHEMBL3522538 0.86 MAPK14 (0.48) SMN1; SMN2MAPK14ALDH1A1PKMDAPK1
SCHEMBL3521589 0.84 MAPK14 (0.49) MAPK14CYP11B1CYP11B2
SCHEMBL3521499 0.84 MAPK14 (0.48) SMN1; SMN2MAPK14ALDH1A1HPGDPKM

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 SMN1; SMN2 912/4885MAPK14 38/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 SMN1; SMN2 746/4885MAPK14 29/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 SMN1; SMN2 912/4885MAPK14 38/4885ALDH1A1 874/4885

“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.