SCHEMBL18539733

SCHEMBL18539733

CC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)nc1COCC(F)(F)OC(C)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.37
HPGDS O60760 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 2/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL18549729 0.90 RXFP1 (0.39) NTRK1HPGDSBRD9MAPKAPK2CKS1B
SCHEMBL18539731 0.89 HTT (0.37) NTRK1LMNAHDAC1MEN1KMT2A
SCHEMBL18549873 0.86 LMNA (0.40) NTRK1HPGDSBRD9MAPKAPK2CKS1B
SCHEMBL18539736 0.85 ALDH1A1 (0.41) HPGDSBRD9MAPKAPK2CKS1BSKP1
SCHEMBL18539741 0.81 MEN1 (0.44) LMNAPOLBMEN1NPC1GAA
SCHEMBL18539742 0.79 ALDH1A1 (0.40) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL18660852 0.78 SCN9A (0.41) NTRK1LMNAPOLBMEN1NPC1
SCHEMBL18539735 0.78 MAPT (0.36) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL18539737 0.77 ALDH1A1 (0.55) LMNAPOLBMEN1NPC1GAA
SCHEMBL18660859 0.74 SCN9A (0.40) NTRK1LMNAPOLBMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-23 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-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION CYP2B6, PFAS, CYP2F1 NTRK1 1751/4885HPGDS 2876/4885BRD9 2143/4885

“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.