SCHEMBL13853262

SCHEMBL13853262

N#Cc1ncnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HTT P42858 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
LMNA P02545 3/20 0.32
RAB9A P51151 2/20 0.32
KCNH2 Q12809 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
GAA P10253 2/20 0.31

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
SCHEMBL5264672 0.78 ALDH1A1 (0.36) TRPV4MAPTALDH1A1KMT2AKDM4E
SCHEMBL4195175 0.75 ALDH1A1 (0.36) TRPV4MAPTALDH1A1HTTKMT2A
SCHEMBL13853257 0.75 ADK (0.44) MAT2AMAPTALDH1A1KMT2AKDM4E
SCHEMBL13853252 0.75 PDE4A (0.36) MAT2ATRPV4MAPTALDH1A1HTT
SCHEMBL13853282 0.75 ALDH1A1 (0.39) MAT2ATRPV4MAPTALDH1A1HTT
SCHEMBL5262350 0.74 MAT2A (0.40) MAT2ATRPV4HTTSMN1; SMN2LMNA
SCHEMBL5262734 0.71 ALDH1A1 (0.43) MAT2AMAPTALDH1A1HTTKMT2A
SCHEMBL13853265 0.71 ALDH1A1 (0.33) TRPV4MAPTALDH1A1HTTKMT2A
SCHEMBL13853254 0.71 PDE4B (0.38) TRPV4MAPTALDH1A1KMT2AKDM4E
SCHEMBL15267989 0.71 MAT2A (0.42) MAT2AMAPTALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAT2A 3060/4885TRPV4 2049/4885MAPT 1170/4885

“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.