SCHEMBL2596908

SCHEMBL2596908

CCOC(=O)c1ncc(F)c(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR9 Q9NR96 1/20 0.46
KDM5B Q9UGL1 1/20 0.42
TARBP2 Q15633 2/20 0.42
JMJD6 Q6NYC1 1/20 0.41
UBE2N P61088 1/20 0.40
KMT2A Q03164 2/20 0.39
GLP1R P43220 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL27541105 0.79 ALDH1A1 (0.50) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL7684716 0.78 S1PR1 (0.49) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL16505656 0.78 MAPT (0.49) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL18703764 0.76 NPC1 (0.47) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL29040001 0.76 UBE2N (0.60) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL18394836 0.75 NPC1 (0.49) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL23930240 0.75 JMJD6 (0.41) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL30007197 0.75 JMJD6 (0.41) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL20399682 0.74 JMJD6 (0.43) NPC1ALDH1A1NPSR1TP53MAPT
SCHEMBL4018903 0.74 THRB (0.43) NPC1ALDH1A1NPSR1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073918-B2 Pyrazolo[4,3-b]pyridine-7-amine inhibitors of ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-07 US disclosed
US-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 US disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO 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-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 ALK, ALKBH5, ALKBH3 NPC1 1973/4885ALDH1A1 134/4885NPSR1 1811/4885

“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.