SCHEMBL5457461

SCHEMBL5457461

O=C(NC1CCCC1)c1cc(-c2c(-c3ccc(F)cc3)nn3c(Cl)cccc23)nc(NC2CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
CNR2 P34972 5/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 11/20 0.40
DGAT2 Q96PD7 1/20 0.40
PRKAA2 P54646 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5448946 0.92 MAPK14 (0.46) MAPK14DGAT2KDM4E
SCHEMBL5452140 0.92 NPC1 (0.43) MAPK14CNR2NPC1RAB9ATDP1
SCHEMBL5459562 0.90 MAPK14 (0.44) MAPK14MAPTKDM4E
SCHEMBL5455132 0.85 MAPK14 (0.48) MAPK14TP53MAPTKDM4E
SCHEMBL5455164 0.85 MAPK14 (0.48) MAPK14RAB9AKDM4E
SCHEMBL6184414 0.85 MAPK14 (0.43) MAPK14DGAT2MAPTKDM4E
SCHEMBL5457274 0.84 MAPK14 (0.46) MAPK14TP53MAPTTHRBKDM4E
SCHEMBL5460496 0.82 MAPK14 (0.46) MAPK14TP53MAPTKDM4E
SCHEMBL5461798 0.81 MAPK14 (0.53) MAPK14
SCHEMBL5462366 0.81 MAPK14 (0.43) MAPK14TP53MAPTTHRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP claimed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 MAPK14 2533/4885CNR2 1154/4885NPC1 1177/4885

“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.