SCHEMBL9952500

SCHEMBL9952500

COc1ncccc1-c1nc[c]s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 2/20 0.38
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE2A O00408 1/20 0.38
MAPT P10636 1/20 0.38
APLNR P35414 1/20 0.37
CLK4 Q9HAZ1 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CYP19A1 P11511 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL2897723 0.75 NPC1 (0.40) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL27636509 0.74 BTK (0.43) BTKRAB9ANPC1L3MBTL1HDAC6
SCHEMBL2752572 0.73 MGAM (0.52) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL2903111 0.71 DHODH (0.34) HDAC6PDE10A
SCHEMBL22940960 0.71 PDE10A (0.53) BTKRAB9ANPC1L3MBTL1PDE10A
SCHEMBL23292536 0.70 KDM4E (0.60) BTKRAB9ANPC1L3MBTL1KDM4E
SCHEMBL2902890 0.70 KCNN4 (0.35) RAB9ANPC1KDM4EALDH1A1
SCHEMBL2903039 0.69
SCHEMBL2895375 0.68 CYP19A1 (0.34) CLK4CYP19A1
SCHEMBL13422264 0.68 DHODH (0.53) BTKRAB9ANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
EP-2655342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 BTK 1129/4885RAB9A 1331/4885NPC1 154/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 BTK 1129/4885RAB9A 1331/4885NPC1 154/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 BTK 1129/4885RAB9A 1331/4885NPC1 154/4885

“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.