SCHEMBL5114414

SCHEMBL5114414

O=C(NOC1CCCCO1)c1cc2cccc(Cl)c2n2nnnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
LMNA P02545 2/20 0.38
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 9/20 0.37
P2RX3 P56373 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
GAA P10253 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PTGES O14684 1/20 0.31
IL1B P01584 1/20 0.31
P2RX7 Q99572 1/20 0.31
CA1 P00915 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
SCHEMBL5114296 0.89 LMNA (0.48) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5115683 0.88 CCNA2 (0.36) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5109733 0.86 CCNA2 (0.41) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5109037 0.85 HSD17B10 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5106704 0.83 EGFR (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4491044 0.83 CUL4A (0.36) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5108953 0.82 LMNA (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4492899 0.78 PTGS2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5102482 0.78 NPSR1 (0.46) TGFBR1ALDH1A1RAB9AGAANPSR1
SCHEMBL5116735 0.78 HSD17B10 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 CCNA2 3907/4885CDK2 665/4885CCNA1 3759/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 CCNA2 3907/4885CDK2 665/4885CCNA1 3759/4885

“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.