SCHEMBL2596845

SCHEMBL2596845

Cc1cnc(-c2cc(Cl)ccc2F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C8 P10632 1/20 0.48
CYP1A2 P05177 3/20 0.47
HTR2B P41595 2/20 0.46
ACVR1B P36896 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAP3K2 Q9Y2U5 1/20 0.43
IDO1 P14902 2/20 0.39
JAK2 O60674 2/20 0.38
ACVRL1 P37023 1/20 0.37

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
SCHEMBL2596974 0.86 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8
SCHEMBL22270336 0.84 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8CYP1A2HTR2B
SCHEMBL27006855 0.78 CYP3A4 (0.40) TGFBR1CYP3A4CYP2C8HTR2BIDO1
SCHEMBL30425007 0.78 CYP3A4 (0.40) TGFBR1CYP3A4CYP2C8HTR2BIDO1
SCHEMBL458804 0.77 CYP3A4 (0.47) CYP3A4CYP1A2
SCHEMBL28996713 0.77 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8ACVR1BIDO1
SCHEMBL30499257 0.77 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8ACVR1BIDO1
SCHEMBL25131726 0.74 SCN9A (0.41) TGFBR1CYP3A4HTR2BIDO1
SCHEMBL30226529 0.74 SCN9A (0.41) TGFBR1CYP3A4HTR2BIDO1
SCHEMBL2596874 0.74 DPP4 (0.39) TGFBR1CYP3A4CYP2C8CYP1A2HTR2B

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.