SCHEMBL6406933

SCHEMBL6406933

O=Cc1c(F)ncc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29953954 0.86 CYP3A4 (0.31) POLBCASP6
SCHEMBL28948467 0.78 POLB (0.32) POLBCASP6
SCHEMBL29956217 0.70 MEN1 (0.35) MEN1ALDH1A1KMT2ATDP1
SCHEMBL27215175 0.70 POLB (0.35) POLBCASP6MEN1ALDH1A1KMT2A
SCHEMBL19950129 0.70 TRIM24 (0.31)
SCHEMBL31447380 0.70 POLB (0.35) POLBCASP6MEN1ALDH1A1KMT2A
SCHEMBL19960704 0.70 KDM4E (0.41) MEN1ALDH1A1KMT2A
SCHEMBL640064 0.69
SCHEMBL31618995 0.69
SCHEMBL4779394 0.69 DAO (0.31)

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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 POLB 1273/4885CASP6 1740/4885MEN1 1738/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR POLB 1113/4885CASP6 2254/4885MEN1 3951/4885

“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.