SCHEMBL3525199

SCHEMBL3525199

O=C(Nc1cccc(C(F)(F)F)c1)N1C=CC(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
DCUN1D1 Q96GG9 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
UBE2M P61081 1/20 0.41
GAA P10253 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL3527717 0.86 KDR (0.45) KDRDCUN1D1RXFP1RAB9AHTT
SCHEMBL3524480 0.85 PLA2G1B (0.47) RAB9AMEN1KMT2ALMNAGAA
SCHEMBL3522563 0.82 MEN1 (0.48) MEN1KMT2AMAPTTRPV1XBP1
SCHEMBL3520643 0.78 ALDH1A1 (0.48) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL3523394 0.78 SMN1; SMN2 (0.52) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL3523595 0.73 ALDH1A1 (0.42) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL3525261 0.70 P2RX4 (0.42) ALDH1A1MEN1KMT2ALMNA
SCHEMBL5142590 0.66 MAPT (0.77) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL31236338 0.66 MAPT (0.77) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL965028 0.65 MAPT (0.70) RAB9AHTTALDH1A1MEN1KMT2A

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 KDR 1267/4885DCUN1D1 3504/4885RXFP1 1677/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 KDR 2293/4885DCUN1D1 3444/4885RXFP1 2018/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 KDR 1267/4885DCUN1D1 3504/4885RXFP1 1677/4885

“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.