SCHEMBL4055037

SCHEMBL4055037

Brc1cnc2nc(CSc3ccccc3)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
PKM P14618 1/20 0.65
ALDH1A1 P00352 6/20 0.55
MAPK10 P53779 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 6/20 0.53
MAPT P10636 3/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 4/20 0.50

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
SCHEMBL4055054 0.84 NPC1 (0.54) TDP1PKMALDH1A1MAPK10SMN1; SMN2
SCHEMBL4060448 0.79 ALDH1A1 (0.58) TDP1PKMALDH1A1MAPK10SMN1; SMN2
SCHEMBL13607777 0.78 NPC1 (0.54) TDP1PKMALDH1A1MAPK10SMN1; SMN2
SCHEMBL4051158 0.78 ALDH1A1 (0.57) TDP1PKMALDH1A1MAPK10SMN1; SMN2
SCHEMBL4058739 0.78 NPC1 (0.47) TDP1PKMALDH1A1SMN1; SMN2NPC1
SCHEMBL4052395 0.77 RAB9A (0.46) TDP1PKMALDH1A1MAPK10SMN1; SMN2
SCHEMBL4053685 0.77 SMN1; SMN2 (0.46) TDP1PKMALDH1A1SMN1; SMN2NPC1
SCHEMBL4053960 0.77 SMN1; SMN2 (0.75) TDP1PKMALDH1A1MAPK10SMN1; SMN2
SCHEMBL618972 0.76 HPGD (0.77) TDP1PKMALDH1A1SMN1; SMN2NPC1
SCHEMBL4052709 0.75 ALDH1A1 (0.54) TDP1PKMALDH1A1MAPK10SMN1; SMN2

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B TDP1 3167/4885PKM 1544/4885ALDH1A1 3683/4885

“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.