SCHEMBL20064683

SCHEMBL20064683

CCOC(=O)c1cc(CC)n2nc(-c3ccc([N+](=O)[O-])cc3F)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ELANE P08246 3/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 1/20 0.38
F2 P00734 2/20 0.37

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
SCHEMBL20064752 0.89 ALDH1A1 (0.38) GAAHTTL3MBTL1MAPTRXFP1
SCHEMBL18198342 0.86 RAB9A (0.52) RAB9AGAAHTTL3MBTL1MAPT
SCHEMBL20064783 0.85 ADORA3 (0.40) RAB9AGAAMAPTRXFP1MEN1
SCHEMBL18198400 0.85 MAPT (0.44) RAB9AMAPTRXFP1MEN1KMT2A
SCHEMBL18198479 0.84 KDM4E (0.36) RAB9AGAAMAPTRXFP1ELANE
SCHEMBL20064696 0.83 HPGD (0.48) RAB9AGAAL3MBTL1MAPTRXFP1
SCHEMBL18198359 0.83 KDM4E (0.43) GAAMAPTELANEGABRA2ALDH1A1
SCHEMBL18198472 0.83 KDM4E (0.39) RAB9AGAAMAPTRXFP1GABRA2
SCHEMBL20064729 0.83 GAA (0.40) RAB9AGAAHTTL3MBTL1MAPT
SCHEMBL18198371 0.81 MEN1 (0.40) RAB9AGAAHTTL3MBTL1MAPT

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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP RAB9A 1227/4885GAA 2343/4885HTT 4378/4885

“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.