SCHEMBL2596874

SCHEMBL2596874

Cc1cnc(-c2cc(Cl)ccc2F)nc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
MAP3K14 Q99558 2/20 0.39
PDE4D Q08499 2/20 0.38
HTR2B P41595 2/20 0.38
MAP4K4 O95819 1/20 0.38
CYP3A4 P08684 4/20 0.37
TGFBR1 P36897 3/20 0.37
CYP2C8 P10632 1/20 0.37
JAK2 O60674 2/20 0.37
AURKA O14965 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCB11 O95342 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP1A2 P05177 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
AGPAT2 O15120 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2596749 0.86 ABL1 (0.43) MAP4K4CYP3A4TGFBR1CYP2C8AGPAT2
SCHEMBL16424417 0.82 TGFBR1 (0.37) PDE4DHTR2BCYP3A4TGFBR1CYP2C8
SCHEMBL2596845 0.74 TGFBR1 (0.48) HTR2BCYP3A4TGFBR1CYP2C8JAK2
SCHEMBL8345684 0.73 TGFBR1 (0.63) CYP3A4TGFBR1CYP2C8AURKACYP1A2
SCHEMBL8365562 0.73 TGFBR1 (0.41) PDE4DCYP3A4TGFBR1CYP2C8JAK2
SCHEMBL3838556 0.73 TGFBR1 (0.47) PDE4DCYP3A4TGFBR1SLC22A1ABCB11
SCHEMBL8346113 0.72 PIM1 (0.38) PDE4DHTR2BCYP3A4TGFBR1AURKA
SCHEMBL9566597 0.72 HTR2B (0.70) DPP4PDE4DHTR2BTGFBR1PRKD3
SCHEMBL3838487 0.72 PDE4D (0.36) PDE4DHTR2BCYP3A4TGFBR1AURKA
SCHEMBL8344312 0.72 MAPT (0.46) TGFBR1CYP1A2AGPAT2

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 DPP4 162/4885MAP3K14 660/4885PDE4D 463/4885

“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.