SCHEMBL13530671

SCHEMBL13530671

Cc1ccc(CNc2nc(OCc3ccc(F)cc3)ncc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43
CDK8 P49336 1/20 0.43
MAP2K1 Q02750 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ROCK1 Q13464 1/20 0.43
NTRK3 Q16288 1/20 0.43
MAPK14 Q16539 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTR2C P28335 2/20 0.43

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
SCHEMBL13530419 0.96 KDM4E (0.42) AURKAABL1NTRK1LCKCSF1R
SCHEMBL13530598 0.90 POLB (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL13530637 0.90 POLB (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL13529604 0.89 CLK1 (0.46) AURKATHRBALDH1A1MAPTGAA
SCHEMBL13764984 0.89 MAPT (0.45) AURKAPIM1THRBUSP1WDR48
SCHEMBL13530467 0.88 MAP2K4 (0.47) AURKAMAPTGAAMAPK1
SCHEMBL13530543 0.88 VNN1 (0.45) ABL1USP1WDR48ALDH1A1CYP1A2
SCHEMBL13530546 0.86 KDM4E (0.48) AURKAABL1NTRK1LCKCSF1R
SCHEMBL13530444 0.86 AURKA (0.39) AURKAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13529259 0.85 AURKA (0.40) AURKAALDH1A1CYP1A2CYP3A4CYP2C9

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 8 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-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 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
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 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 (3 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 1050/4885ABL1 713/4885NTRK1 4601/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885ABL1 713/4885NTRK1 4601/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885ABL1 713/4885NTRK1 4601/4885

“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.