SCHEMBL2596884

SCHEMBL2596884

Cc1ccc(F)c(-c2cc(N)c(C)cn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C8 P10632 1/20 0.45
UHRF1 Q96T88 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GRM5 P41594 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MPL P40238 1/20 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
SCHEMBL2596885 0.79 UHRF1 (0.35) UHRF1NOS3NOS1NOS2
SCHEMBL2596862 0.76 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8ALOX5APFEN1
SCHEMBL2596974 0.73 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8ALOX5APFEN1
SCHEMBL2596823 0.72 CCR1 (0.55) TGFBR1UHRF1ADORA2AADORA1HSD17B10
SCHEMBL2596845 0.72 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8CYP1A2
SCHEMBL4020732 0.68 PIK3CA (0.44) TGFBR1CNR2FEN1NOS3NOS2
SCHEMBL458804 0.67 CYP3A4 (0.47) CYP3A4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2596824 0.67 UHRF1 (0.38) CYP3A4UHRF1NOS3NOS1NOS2
SCHEMBL13750538 0.66 PTGS2 (0.43) TGFBR1NPC1PKMRAB9ACNR2
SCHEMBL457288 0.66 LDHA (0.53) ADORA2AADORA1NPC1PKMRAB9A

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 TGFBR1 413/4885CYP3A4 65/4885CYP2C8 178/4885

“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.