SCHEMBL5109733

SCHEMBL5109733

O=C(NOC1CCCCO1)c1cc2c(Cl)cccc2n2nnnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IL1B P01584 7/20 0.34
P2RX7 Q99572 7/20 0.34
P2RX3 P56373 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 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
SCHEMBL5114414 0.86 CCNA2 (0.43) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5109037 0.85 HSD17B10 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL14490594 0.84 CCNA2 (0.41) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5106704 0.83 EGFR (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4491044 0.83 CUL4A (0.36) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5109610 0.81 EP300 (0.41) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4502684 0.80 CCNA2 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5115683 0.79 CCNA2 (0.36) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5114296 0.79 LMNA (0.48) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5102482 0.78 NPSR1 (0.46) TGFBR1KDM4EALDH1A1HPGDKMT2A

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
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 WO 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

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.