SCHEMBL8389254

SCHEMBL8389254

O=C(c1ccc(-c2cnc3c(c2)CCN3)cc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.52
ASIC3 Q9UHC3 1/20 0.50
ALK Q9UM73 2/20 0.49
HPGD P15428 4/20 0.49
MAPK1 P28482 1/20 0.49
NNMT P40261 2/20 0.48
RIPK1 Q13546 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B2 P19099 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABL1 P00519 1/20 0.44
KCNH2 Q12809 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TGFBR1 P36897 1/20 0.42

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
SCHEMBL8387765 0.90 CYP11B2 (0.55) PIK3C3ASIC3HPGDRIPK1SMN1; SMN2
SCHEMBL19908274 0.86 POLB (0.51) PIK3C3HPGDNNMTRIPK1CYP11B2
SCHEMBL22226403 0.83 NNMT (0.61) PIK3C3HPGDNNMTCYP11B2ALDH1A1
SCHEMBL10293369 0.81 NNMT (0.69) PIK3C3ASIC3NNMTRIPK1CYP11B2
SCHEMBL22226400 0.77 NNMT (0.64) HPGDNNMTCYP11B2ALDH1A1
SCHEMBL8420368 0.77 PARP10 (0.59) HPGDMAPK1MEN1TSHRKMT2A
SCHEMBL22226404 0.76 NNMT (0.59) HPGDNNMTCYP11B2ALDH1A1
SCHEMBL19908255 0.75 ALK (0.71) ALKHPGDMAPK1MEN1TSHR
SCHEMBL14420780 0.74 GSK3A (0.47) HPGDMAPK1RIPK1TSHRMKNK1
SCHEMBL14420675 0.73 HPGD (0.49) HPGDMAPK1RIPK1MEN1TSHR

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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 PIK3C3 596/4885ASIC3 4092/4885ALK 1269/4885

“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.