SCHEMBL2596749

SCHEMBL2596749

Cc1cnc(-c2cc(F)ccc2F)nc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
NPC1 O15118 1/20 0.41
IDH1 O75874 1/20 0.39
S1PR1 P21453 1/20 0.37
TGFBR1 P36897 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
DHFR P00374 3/20 0.36
AGPAT2 O15120 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAP4K4 O95819 1/20 0.34
FYN P06241 1/20 0.34
SLC9A1 P19634 1/20 0.34
ALK Q9UM73 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL2596874 0.86 DPP4 (0.39) NPC1TGFBR1CYP3A4CYP2C8AGPAT2
SCHEMBL1582458 0.84 NPC1 (0.39) ABL1NPC1IDH1S1PR1TGFBR1
SCHEMBL2596974 0.73 TGFBR1 (0.47) ABL1TGFBR1CYP3A4CYP2C8AGPAT2
SCHEMBL2666271 0.72 IDH1 (0.41) NPC1IDH1TGFBR1CYP3A4CYP2C8
SCHEMBL27953457 0.72 ALDH1A1 (0.49) NPC1CYP3A4L3MBTL1
SCHEMBL9566537 0.71 NPC1 (0.68) NPC1IDH1DHFRAGPAT2L3MBTL1
SCHEMBL18068206 0.68 TKT (0.35) ABL1NPC1S1PR1DHFRMAP4K4
SCHEMBL30741303 0.68 NPC1 (0.44) NPC1CYP3A4DHFR
SCHEMBL26597794 0.68 NPC1 (0.44) NPC1CYP3A4DHFR
SCHEMBL10305016 0.68 ABL1 (0.42) ABL1S1PR1L3MBTL1

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 ABL1 9/4885NPC1 1973/4885IDH1 224/4885

“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.