SCHEMBL10143631

SCHEMBL10143631

Cc1cc2nc(C)ccn2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 11/20 0.47
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
ALDH1A1 P00352 7/20 0.46
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 3/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.39

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
SCHEMBL434154 0.83 SMN1; SMN2 (0.61) SMN1; SMN2TP53KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL6544490 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL15004605 0.72 HDAC1 (0.47) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL7394248 0.72 KDM4E (0.61) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL15004606 0.72 HDAC1 (0.47) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL1426603 0.72 HDAC1 (0.50) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL8811617 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL16212792 0.72 TLR9 (0.53) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL18569907 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4ENPC1RAB9A
SCHEMBL18726996 0.72 HDAC1 (0.47) SMN1; SMN2TP53KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO 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 (3 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4637/4885TP53 232/4885KDM4E 4063/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4634/4885TP53 224/4885KDM4E 4113/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4634/4885TP53 224/4885KDM4E 4113/4885

“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.