SCHEMBL16623450

SCHEMBL16623450

N#CCc1ccc(C(=N)c2c(Nc3c(F)cccc3F)c(Cl)c[nH]c2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ALDH2 P05091 1/20 0.31

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
SCHEMBL16728914 0.90 RAB9A (0.32) NPC1
SCHEMBL16623588 0.85 SYK (0.34)
SCHEMBL16726665 0.85 ALDH2 (0.33) ALDH2
SCHEMBL18052608 0.84 MEN1 (0.31) MAPT
SCHEMBL17849191 0.82 BRAF (0.34) MAPT
SCHEMBL17849208 0.82 HDAC6 (0.33) LMNAMAPT
SCHEMBL16726648 0.82 KDR (0.33) ALDH2
SCHEMBL17849211 0.81 L3MBTL1 (0.38)
SCHEMBL17849189 0.81 RAB9A (0.45) NPC1LMNA
SCHEMBL17849220 0.81 MT-CO2 (0.35)

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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 NPC1 4690/4885LMNA 1474/4885MAPT 1208/4885

“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.