SCHEMBL4055039

SCHEMBL4055039

FC(F)(F)c1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.43
FFAR1 O14842 1/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1G O43497 1/20 0.38
CYP2C8 P10632 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2A7 P20853 1/20 0.36
CYP3A7 P24462 1/20 0.36
CYP2F1 P24903 1/20 0.36
CYP2C18 P33260 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4063393 0.89 MKNK1 (0.39) CACNA1HCACNA1GCYP2C8CYP2C9NPC1
SCHEMBL4058483 0.88 CYP11B1 (0.41) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL4051786 0.88 P2RY14 (0.43) CYP2C8CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL4061552 0.88 NOS3 (0.41) CYP2C8CYP2C9NPC1LMNAMAPT
SCHEMBL4056967 0.85 SMN1; SMN2 (0.39) CYP2C8CYP2C9NPC1LMNAMAPT
SCHEMBL13607986 0.84 KIT (0.45) KITFFAR1CYP2C8CYP2C9CYP1A1
SCHEMBL4054960 0.84 MAPT (0.36) CYP2C8CYP2C9NPC1LMNAMAPT
SCHEMBL4060275 0.83 ADRA2A (0.36) CYP2C8CYP2C9NPC1LMNAMAPT
SCHEMBL4060685 0.82 KIT (0.42) KITCACNA1HCACNA1GTRPV1PRMT5
SCHEMBL4051006 0.82 RIPK1 (0.46) NPC1LMNAMAPTRAB9ASMN1; 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 KIT 493/4885FFAR1 3632/4885CACNA1H 2970/4885

“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.