SCHEMBL2458769

SCHEMBL2458769

c1ncc(-c2ccc3ncsc3c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
DYRK1A Q13627 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TGFBR1 P36897 2/20 0.45
BMPR1A P36894 1/20 0.45
SMAD2 Q15796 1/20 0.45
IDO1 P14902 7/20 0.45
ASIC3 Q9UHC3 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGDS O60760 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HKDC1 Q2TB90 1/20 0.41

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
SCHEMBL2457010 0.88 CYP11B1 (0.47) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL31214345 0.77 DYRK1A (0.72) RIPK1DYRK1ATGFBR1BMPR1ASMAD2
SCHEMBL2457852 0.76 PFKFB3 (0.55) RIPK1DYRK1ATGFBR1BMPR1ASMAD2
SCHEMBL2458543 0.75 CYP11B1 (0.47) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL30718016 0.73 CYP11B1 (0.53) CYP11B1CYP11B2TGFBR1IDO1ASIC3
SCHEMBL2460153 0.73 RIPK2 (0.55) RIPK1DYRK1APOLBHPGDSCYP3A4
SCHEMBL2457537 0.73 CYP11B1 (0.57) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL991449 0.72 QPCT (0.58) CYP11B1CYP11B2IDO1ASIC3POLB
SCHEMBL2457484 0.72 DYRK1A (0.49) RIPK1DYRK1ATGFBR1BMPR1ASMAD2
SCHEMBL2465324 0.71 CYP11B1 (0.58) DYRK1ACYP11B1CYP11B2IDO1ASIC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET RIPK1 3658/4885DYRK1A 4134/4885CYP11B1 2027/4885

“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.