SCHEMBL3427059

SCHEMBL3427059

CCOc1nc(NCc2ccccc2)nc(Nc2ccc(CN)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.56
POLB P06746 1/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3478810 0.85 MEN1 (0.61) KCNH3MEN1KMT2ALMNATDP1
SCHEMBL10243964 0.84 KCNH3 (0.73) KCNH3MAPTMEN1ALDH1A1MAPK1
SCHEMBL12709285 0.81 KCNH3 (0.63) KCNH3CA9MAPTNPSR1SMN1; SMN2
SCHEMBL14447121 0.80 POLB (0.66) KCNH3POLBCA1CA2CA9
SCHEMBL3425215 0.80 BRD4 (0.47) KCNH3POLBCA1CA2CA9
SCHEMBL1556102 0.79 MEN1 (0.56) KCNH3CA9HPGDMEN1KMT2A
SCHEMBL2612080 0.79 HPGD (0.49) POLBCA1CA2CA9MAPT
SCHEMBL1392273 0.78 SLC2A1 (0.62) KCNH3MAPTMEN1MAPK1KMT2A
SCHEMBL1555996 0.77 MEN1 (0.54) KCNH3MEN1KMT2ALMNATDP1
SCHEMBL1391385 0.75 CA9 (0.73) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586584-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-8445490-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-20120093766-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20110086858-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-04-14 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-20120093766-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS KCNH3 3660/4885POLB 1672/4885CA1 4446/4885
US-20110086858-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS KCNH3 3660/4885POLB 1672/4885CA1 4446/4885

“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.