SCHEMBL7119645

SCHEMBL7119645

Nc1nc(Sc2ccc(O)cc2)c2ncn(CCOCP(CC(F)(F)F)CC(F)(F)F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
SLC29A1 Q99808 3/20 0.36
ALDH1A1 P00352 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
POLB P06746 3/20 0.34
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
MGMT P16455 1/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
FGFR1 P11362 1/20 0.31

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
SCHEMBL7769163 0.94 CYP1A2 (0.37) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7765786 0.92 CYP1A2 (0.46) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7759477 0.92 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7128679 0.92 CYP1A2 (0.41) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7116907 0.90 CYP2C19 (0.35) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7769155 0.90 DHFR (0.42) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL6837777 0.90 NSD3 (0.40) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
Hydrochloric Acid SCHEMBL7765789 0.89 NSD3 (0.39) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7118711 0.89 CYP1A2 (0.38) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL7119981 0.89 CYP2C19 (0.39) CYP2C19CYP1A2CYP3A4CYP2C9HIF1A

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-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US claimed
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 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-20030109498-A1 Antiviral agent for drug-resistant virus TPMT, MTAP, TYMP CYP2C19 787/4885CYP1A2 1083/4885CYP3A4 977/4885

“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.