SCHEMBL6207196

SCHEMBL6207196

C[C@](N)(C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAOB P27338 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL18768389 0.83 FLT3 (0.49) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL20425436 0.79 ALDH1A1 (0.47) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL5776749 0.79 FLT3 (0.46) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL10472895 0.78 FLT3 (0.50) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL16595609 0.77 FLT3 (0.49) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL20425403 0.76 MAOB (0.44) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8036000 0.75 KDM4E (0.46) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL800706 0.75 KDM4E (0.44) FLT3RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28018770 0.74 KDM4E (0.44) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL10480336 0.74 FLT3 (0.46) FLT3NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313736-B1 CONDENSED PYRAZINDIONE DERIVATIVES AS INHIBITORS OF PDE5 LILLY ICOS LLC (US) 2005-07-27 EP disclosed
US-6903099-B2 Condensed pyrazindione derivatives LILLY ICOS LLC (US) 2005-06-07 US disclosed
US-20030181457-A1 Chemical compounds LILLY ICOS LLC 2003-09-25 US disclosed
EP-1313736-A2 CONDENSED PYRAZINDIONE DERIVATIVES Lilly Icos LLC (US) 2003-05-28 EP disclosed
WO-2002000657-A2 CONDENSED PYRAZINDIONE DERIVATIVES LILLY ICOS LLC (US) 2002-01-03 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-20030181457-A1 Chemical compounds ABCG2, SDHA, CYP11B1 FLT3 1004/4885NPC1 100/4885RAB9A 1805/4885

“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.