SCHEMBL4929967

SCHEMBL4929967

CCOc1c(N2CCNCC2C)nc(N)c2cnc3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPAST Q9UBP0 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HTR2C P28335 5/20 0.35
▸ LATS1 O95835 1/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ PIM3 Q86V86 2/20 0.33

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
SCHEMBL4912320 0.93 MAPT (0.36) SPASTSMN1; SMN2HTR2CLATS1ALK
SCHEMBL4929950 0.85 HTR2C (0.36) SPASTHTR2CLATS1ALKCYP1A2
SCHEMBL4912306 0.80 HTR2C (0.37) SPASTHTR2CLATS1CYP1A2CYP3A4
SCHEMBL5667529 0.74 SPAST (0.43) SPASTSMN1; SMN2ALDH1A1HTR2CLATS1
SCHEMBL5667522 0.71 SPAST (0.50) SPASTALDH1A1HPGDHTR2CCYP1A2
SCHEMBL31492341 0.70 LMNA (0.62) SPASTSMN1; SMN2ALDH1A1HTR2CLATS1
SCHEMBL4929975 0.69 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1HPGDTAAR1
SCHEMBL31423848 0.68 SPAST (0.46) SPASTHTR2CLATS1ACVR1CYP1A2
SCHEMBL4302048 0.67 SPAST (0.43) SPASTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12495116 0.67 HTR2C (0.39) SPASTSMN1; SMN2KDM4EALDH1A1HPGD

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 SPAST 4655/4885SMN1; SMN2 2665/4885KDM4E 1909/4885

“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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