SCHEMBL2596829

SCHEMBL2596829

Cc1ccc(F)c(-c2cc(N)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.46
ASIC3 Q9UHC3 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
PIM1 P11309 2/20 0.40
SRC P12931 1/20 0.40
GSK3A P49840 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL2652006 0.87 CCR1 (0.52) TGFBR1NISCHCCR1CCR5CCR8
SCHEMBL2596904 0.83 KDM1A (0.48) TGFBR1ASIC3KDM1A
SCHEMBL31032681 0.81 TGFBR1 (0.45) TGFBR1ASIC3
SCHEMBL2596864 0.81 TGFBR1 (0.45) TGFBR1ASIC3
SCHEMBL14146179 0.79 ASIC3 (0.42) ASIC3CCR1CCR5CCR8KDM1A
SCHEMBL25011838 0.77 ASIC3 (0.56) TGFBR1ASIC3PIM1GSK3AKDM4E
SCHEMBL30420906 0.77 ASIC3 (0.56) TGFBR1ASIC3PIM1GSK3AKDM4E
SCHEMBL14988315 0.77 KDM1A (0.43) TGFBR1NISCHCCR1CCR5CCR8
SCHEMBL21386824 0.76 CCR1 (0.74) ASIC3CCR1CCR5CCR8KDM4E
SCHEMBL30090590 0.76 KDM4E (0.46) TGFBR1NISCHCCR1CCR5CCR8

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 413/4885ASIC3 1070/4885NISCH 3132/4885

“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.