SCHEMBL4912320

SCHEMBL4912320

CCCOc1c(N2CCNCC2C)nc(N)c2cnc3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ HTR2C P28335 7/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SPAST Q9UBP0 1/20 0.35
▸ HTR2A P28223 3/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LATS1 O95835 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL4929967 0.93 SPAST (0.36) HTR2CSPASTHTR2AHTR2BLATS1
SCHEMBL4912306 0.85 HTR2C (0.37) MAPTHTR2CNPC1RAB9ASPAST
SCHEMBL4929950 0.80 HTR2C (0.36) HTR2CSPASTHTR2AHTR2BLATS1
SCHEMBL12495116 0.75 HTR2C (0.39) MAPTHTR2CNPC1RAB9ASPAST
SCHEMBL4912327 0.71 TP53 (0.42) MAPTNPC1RAB9ATP53CYP1A2
SCHEMBL12495119 0.69 HTR2C (0.41) MAPTHTR2CSPASTHTR2AHTR2B
SCHEMBL5667529 0.69 SPAST (0.43) MAPTHTR2CSPASTHTR2AHTR2B
SCHEMBL31492341 0.69 LMNA (0.62) HTR2CRAB9ASPASTHTR2AHTR2B
SCHEMBL5667956 0.68 SPAST (0.43) MAPTHTR2CSPASTHTR2AHTR2B
SCHEMBL31423848 0.67 SPAST (0.46) HTR2CSPASTHTR2BLATS1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 — — 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 (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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 MAPT 4382/4885HTR2C 3075/4885NPC1 2507/4885

“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.

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