SCHEMBL2980987

SCHEMBL2980987

Brc1ccc2cnn(C3CCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.41
KMO O15229 1/20 0.41
HTR7 P34969 5/20 0.40
HTR6 P50406 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
PDE9A O76083 1/20 0.38
SCD O00767 3/20 0.37
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL19698021 0.98 PIK3CD (0.41) PIK3CDKMOHTR7HTR6HTR1A
SCHEMBL17677989 0.97 PIK3CD (0.41) PIK3CDKMOHTR7HTR6HTR1A
SCHEMBL16595822 0.93 KMO (0.43) PIK3CDKMOHTR7HTR1AHTR1B
SCHEMBL31104405 0.93 KMO (0.43) PIK3CDKMOHTR7HTR1AHTR1B
SCHEMBL25045382 0.87 HTR7 (0.39) PIK3CDHTR7PDE9ASCD
SCHEMBL19279681 0.87 PIK3CD (0.46) PIK3CDKMOHTR1AHTR1BHTR1F
SCHEMBL31757809 0.86 MEN1 (0.42) PIK3CDKMOHTR1AHTR1BHTR1F
SCHEMBL19279630 0.86 PIK3CD (0.55) PIK3CDKMO
SCHEMBL19279654 0.86 PIK3CD (0.39) PIK3CDKMOHTR1AHTR1BHTR1F
SCHEMBL19703386 0.86 MEN1 (0.42) PIK3CDKMOHTR1AHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781460-B2 Substituted indazoles as inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-08-24 US disclosed
US-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv RANBAXY LABORATORIES LIMITED (IN) 2008-12-18 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-20080312285-A1 Substituted Indazoles as Inhibitors of Phosphodiesterase Type-Iv PDE3B, PDE3A, PDE7A PIK3CD 159/4885KMO 740/4885HTR7 177/4885

“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.