SCHEMBL5216682

SCHEMBL5216682

FC(F)(F)Oc1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
KDR P35968 1/20 0.49
MKNK1 Q9BUB5 5/20 0.42
GRM4 Q14833 1/20 0.42
RXRA P19793 7/20 0.41
GRIN1 Q05586 7/20 0.41
GRIN2B Q13224 7/20 0.41
GRM5 P41594 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATR Q13535 1/20 0.40
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL5215983 0.86 MKNK1 (0.42) FGFR1FGFR2KDRMKNK1GRM4
SCHEMBL5216715 0.85 ALDH1A1 (0.48) MKNK1GRM4GRM5NPC1RAB9A
SCHEMBL5216692 0.85 MKNK1 (0.57) FGFR1FGFR2KDRMKNK1GRM4
SCHEMBL5220141 0.83 ACP1 (0.45) FGFR1FGFR2KDRMKNK1GRM4
SCHEMBL3922684 0.82 GRM5 (0.60) MKNK1GRM4RXRAGRIN1GRIN2B
SCHEMBL30794811 0.82 GRM5 (0.60) MKNK1GRM4RXRAGRIN1GRIN2B
SCHEMBL5218314 0.81 GRM4 (0.54) FGFR1FGFR2KDRMKNK1GRM4
SCHEMBL5216495 0.80 GRM4 (0.54) GRM4NPC1RAB9AKDM4EMAPT
SCHEMBL8353703 0.80 BCHE (0.51) FGFR1KDRGRM4GRM5NPC1
SCHEMBL5217224 0.80 MKNK1 (0.52) KDRMKNK1GRM4GRM5NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP claimed
EP-1458383-A4 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-05-25 EP claimed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US claimed
EP-1458383-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO claimed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 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 (1 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-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C FGFR1 1815/4885FGFR2 1478/4885KDR 4191/4885

“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.