SCHEMBL4742920

SCHEMBL4742920

N#Cc1[nH]c(=O)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.36
ALDH1A1 P00352 7/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 7/20 0.33
GAA P10253 5/20 0.33
HPGD P15428 5/20 0.33
GLA P06280 4/20 0.33
TP53 P04637 1/20 0.33
DPYD Q12882 1/20 0.32
IDO1 P14902 1/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL10933269 0.70 DAO (0.40) DAOALDH1A1MAPTKDM4EHPGD
SCHEMBL7903836 0.69 UPP1 (0.48) DAOMAPTKDM4EDPYDKMT2A
SCHEMBL7906397 0.68 UPP1 (0.47) DAOMAPTKDM4EDPYDKMT2A
SCHEMBL17603120 0.65 AR (0.43) DAOALDH1A1HTTMAPTLMNA
SCHEMBL24566204 0.62 KDM4E (0.45) DAOALDH1A1HTTMAPTLMNA
SCHEMBL27284697 0.59 DPYD (0.37) DPYDKMT2AMEN1
SCHEMBL9489932 0.57 TRPV4 (0.61) TRPV4
SCHEMBL24070359 0.57 TRPV4 (0.59) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9971326 0.56 GRIA1 (0.63) ALDH1A1MAPTLMNATSHRTHPO
SCHEMBL27977648 0.56

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
WO-2008104473-A2 PYRAZOLOPYRIIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-04 WO disclosed
WO-2008104473-A2 PYRAZOLOPYRIIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-04 WO disclosed
US-20080207684-A1 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2008-08-28 US disclosed
US-20080207684-A1 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2008-08-28 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-20080207684-A1 Kinase inhibitors and methods for using the same MAP3K1, MAPK1, MAP3K20 DAO 3682/4885ALDH1A1 2354/4885HTT 2716/4885

“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.