SCHEMBL9980197

SCHEMBL9980197

Cc1ncc(-c2ccc(-c3ccc(-c4ccc5nc(C)[nH]c5c4)cc3)cc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
POLB P06746 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
GFER P55789 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PRKCI P41743 1/20 0.47
HPGD P15428 3/20 0.47
HCRTR1 O43613 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL17066708 0.88 CYP2A6 (0.43) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL9980154 0.85 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10AAK1
SCHEMBL17656206 0.85 NPC1 (0.46) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL20055263 0.85 USP7 (0.47) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL2457137 0.83 RAB9A (0.67) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL18462650 0.81 AAK1 (0.52) MEN1KMT2AAAK1
SCHEMBL30572488 0.80 RAB9A (0.59) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL15747134 0.80 RAB9A (0.59) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL9980119 0.80 RAB9A (0.59) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL30572573 0.79 RAB9A (0.67) RAB9ANPC1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885POLB 57/4885

“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.