SCHEMBL12127201

SCHEMBL12127201

CC1(C)OB(c2cnc3ncccc3c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.43
LIPG Q9Y5X9 11/20 0.43
ALPL P05186 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
DGAT1 O75907 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ROCK2 O75116 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34

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
SCHEMBL31221823 1.00 LPL (0.43) LPLLIPGALPLGSK3AGSK3B
SCHEMBL21841087 0.85 CCR1 (0.53) LPLLIPGALPLPDGFRBKDR
SCHEMBL167417 0.78 ALPL (0.57) LPLLIPGALPLPDGFRBKDR
SCHEMBL20392548 0.78 CCR1 (0.44) LPLLIPGIRAK4CCR1CCR5
SCHEMBL29502745 0.78 CCR1 (0.44) LPLLIPGIRAK4CCR1CCR5
SCHEMBL418496 0.77 ALDH1A1 (0.49) LPLLIPGALPLPDGFRBIRAK4
SCHEMBL29502750 0.77 ALDH1A1 (0.49) LPLLIPGALPLPDGFRBIRAK4
SCHEMBL31513479 0.77 ALDH1A1 (0.49) LPLLIPGALPLPDGFRBIRAK4
SCHEMBL30198644 0.77 ALPL (0.42) LPLLIPGALPLGSK3AGSK3B
SCHEMBL17421093 0.77 ALPL (0.42) LPLLIPGALPLGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282063-A1 METHOD OF PRODUCING A DIAZAFLUORENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-11-17 US disclosed
US-20110282063-A1 METHOD OF PRODUCING A DIAZAFLUORENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-11-17 US disclosed
US-20080161574-A1 DIAZAFLUORENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-07-03 US disclosed
US-20080161574-A1 DIAZAFLUORENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-07-03 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-20080161574-A1 DIAZAFLUORENE COMPOUND AFF1, NPFFR1, AFF2 LPL 4328/4885LIPG 4352/4885ALPL 4431/4885
US-20110282063-A1 METHOD OF PRODUCING A DIAZAFLUORENE COMPOUND AFF1, AFF2, AFF4 LPL 4158/4885LIPG 4442/4885ALPL 3996/4885

“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.