SCHEMBL13530763

SCHEMBL13530763

Cc1ccc(COc2ncc(F)c(NNc3ccc(Br)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.40
MAPT P10636 4/20 0.38
MAOB P27338 2/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AR P10275 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
MAOA P21397 1/20 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
SCHEMBL13530766 0.89 AR (0.44) AURKAMEN1KMT2AARLMNA
SCHEMBL13530473 0.88 MAOB (0.41) AURKAMAPTMAOBHTR7HTR6
SCHEMBL13529738 0.81 RXRA (0.46) AURKAMAPTNPC1RAB9ALMNA
SCHEMBL13530220 0.80 AURKA (0.39) AURKAMAPTCYP2C9ALDH1A1CYP1A2
SCHEMBL13529734 0.80 CLK4 (0.42) AURKAMEN1KMT2AARLMNA
SCHEMBL13529848 0.80 AURKA (0.42) AURKAMAPTMAOBNPC1RAB9A
SCHEMBL13530771 0.80 CYP1A2 (0.41) AURKAMAPTMAOBMEN1KMT2A
SCHEMBL13530419 0.79 KDM4E (0.42) AURKAMAPTMEN1KMT2AALDH1A1
SCHEMBL13530041 0.79 AURKA (0.39) AURKAMAPTHTR7HTR6LMNA
SCHEMBL13530444 0.79 AURKA (0.39) AURKAMAOBNPC1RAB9ALMNA

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-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885MAPT 3308/4885MAOB 1396/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885MAPT 3308/4885MAOB 1396/4885

“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.