SCHEMBL18336164

SCHEMBL18336164

CSc1nc(C(=O)NCC(F)F)c(NC(=O)c2nc(C)no2)s1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30

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
SCHEMBL18336602 0.88 HSP90AB1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL18337002 0.84 FABP4 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL18335983 0.84 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL18336097 0.82 FABP4 (0.33)
SCHEMBL18336393 0.82 TNIK (0.38)
SCHEMBL18336908 0.79 STAT3 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL18336876 0.76 IRAK4 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL18335844 0.74 LMNA (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL18336650 0.67 GSK3B (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL18336810 0.65 PLK1 (0.36) NPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 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 (2 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS NPC1 2170/4885RAB9A 2731/4885SMN1; SMN2 3108/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS NPC1 2168/4885RAB9A 2958/4885SMN1; SMN2 3017/4885

“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.