SCHEMBL5265077

SCHEMBL5265077

O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.47
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 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
SCHEMBL5263715 0.90 CYP1A2 (0.43) TAS2R14TGFBR1KDM4ETDP1CYP1A2
SCHEMBL13853221 0.84 CYP1A2 (0.47) KDM4ETDP1GABRA1GABRG2GABRB3
SCHEMBL5265079 0.82 KDM4E (0.64) TAS2R14TGFBR1KDM4ETDP1DHODH
SCHEMBL13853223 0.81 CYP1A2 (0.50) TGFBR1KDM4ECYP1A2CYP2C9KMT2A
SCHEMBL5263050 0.81 ALDH1A1 (0.43) TGFBR1KDM4ETDP1CYP1A2CYP2C9
SCHEMBL13853227 0.80 TAS2R14 (0.48) TAS2R14KDM4EDHODHSYK
SCHEMBL2353404 0.79 DHODH (0.42) TAS2R14TGFBR1KDM4ETDP1DHODH
SCHEMBL17964400 0.78 ALDH1A1 (0.55) KDM4ETDP1DHODHKMT2AKDM6B
Trifluoroacetic Acid SCHEMBL29693943 0.77 KDM4E (0.59) KDM4ETDP1DHODHCYP1A2CYP2C9
SCHEMBL646624 0.75 KDM4E (0.71) KDM4ETDP1DHODHCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP claimed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO claimed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK TAS2R14 4506/4885TGFBR1 4154/4885KDM4E 376/4885

“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.