SCHEMBL3519980

SCHEMBL3519980

O=c1c(Br)c(OCc2ccccc2)ncn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
MAPK14 Q16539 3/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ATM Q13315 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B13 Q7Z5P4 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
SCHEMBL3522756 0.93 MAPK14 (0.53) MAPTLMNATP53RXFP1ROCK2
SCHEMBL3524029 0.89 MAPK14 (0.50) MAPK14ALDH1A1MMP13KDM4ESMN1; SMN2
SCHEMBL3519640 0.86 MAPK14 (0.56) MAPTLMNAROCK2ROCK1MAPK14
SCHEMBL3519707 0.85 MAPK14 (0.59) MAPTLMNAROCK2ROCK1MAPK14
SCHEMBL3524527 0.85 MAPK14 (0.60) LMNARXFP1MAPK14KDM4CALDH1A1
SCHEMBL3524427 0.83 MAPK14 (0.48) MAPK14MAOBSMN1; SMN2
SCHEMBL3522684 0.81 ALDH1A1 (0.48) MAPK14ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL4376522 0.81 MAPK14 (0.72) MAPTLMNATP53RXFP1MAPK14
SCHEMBL3522176 0.81 MAPK14 (0.53) LMNAMAPK14MAOBALDH1A1KDM4E
SCHEMBL3521867 0.81 MAPK14 (0.53) MAPTLMNAMAPK14ALDH1A1MMP13

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 MAPT 2576/4885LMNA 3164/4885TP53 867/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPT 3038/4885LMNA 3198/4885TP53 1755/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885LMNA 3164/4885TP53 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.