SCHEMBL16576325

SCHEMBL16576325

CCn1ncc2cc(Sc3ccc(F)cc3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
NR3C1 P04150 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 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
SCHEMBL14312198 0.83 MAPT (0.33) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL16573725 0.82 MEN1 (0.35) MAPTLMNAMEN1KMT2AHTR2A
SCHEMBL14312204 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EHPGDTSHR
SCHEMBL16576327 0.81 APP (0.42) MAPTLMNAMEN1KMT2AHTR2C
SCHEMBL14312263 0.75 LMNA (0.41) LMNAALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL16576448 0.72 HTR2A (0.47) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL174312 0.71 SRC (0.38) PDE4BMAPTLMNAALDH1A1NPSR1
SCHEMBL174249 0.71 ABL1 (0.40) PDE4BMAPTLMNAALDH1A1MEN1
SCHEMBL13562831 0.71 CCR1 (0.39) PDE4BMAPTMEN1KMT2ANR3C1
SCHEMBL11129858 0.70 PDGFRB (0.44) KDM4EHASPIN

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-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 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-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 PDE4B 2352/4885MAPT 3575/4885LMNA 2347/4885

“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.