SCHEMBL9953203

SCHEMBL9953203

COc1ccc(-c2nn3ccc(Br)cc3c2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.46
ADORA2A P29274 3/20 0.43
ADORA2B P29275 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NTRK1 P04629 1/20 0.39
PIM1 P11309 1/20 0.39
NPM1 P06748 1/20 0.39
ALK Q9UM73 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL15458717 0.86 LMNA (0.40) ADORA1ADORA2AADORA2BNPC1RAB9A
SCHEMBL9959559 0.78 KMT2A (0.40) NPC1RAB9AALDH1A1MAOANPM1
SCHEMBL12465648 0.76 NPM1 (0.37) NPC1RAB9AALDH1A1NPM1ALK
SCHEMBL12687660 0.76 NPM1 (0.37) NPC1RAB9AALDH1A1NPM1ALK
SCHEMBL12465649 0.76 NPM1 (0.37) NPC1RAB9AALDH1A1NPM1ALK
SCHEMBL9959512 0.75 KMT2A (0.43) NPC1RAB9AALDH1A1HPGDNPM1
Hydrochloric Acid SCHEMBL12465729 0.75 NPM1 (0.37) NPC1RAB9AALDH1A1HPGDNPM1
SCHEMBL15455324 0.75 NPM1 (0.37) NPC1RAB9AALDH1A1NPM1ALK
SCHEMBL9959511 0.75 KMT2A (0.43) NPC1RAB9AALDH1A1HPGDNPM1
SCHEMBL12465877 0.75 NPM1 (0.37) ADORA1NPC1RAB9AALDH1A1NPM1

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-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
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (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 ADORA1 3818/4885ADORA2A 3567/4885ADORA2B 2560/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ADORA1 3818/4885ADORA2A 3567/4885ADORA2B 2560/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ADORA1 3818/4885ADORA2A 3567/4885ADORA2B 2560/4885

“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.