SCHEMBL3204474

SCHEMBL3204474

Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 3/20 0.42
TRPV3 Q8NET8 3/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CES2 O00748 2/20 0.38
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
CYP2C9 P11712 2/20 0.36
SCN9A Q15858 1/20 0.36
HSD11B1 P28845 1/20 0.35
NFKBIA P25963 1/20 0.35
RELA Q04206 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MPL P40238 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL10021613 0.84 HSD11B1 (0.41) KCNH2SCN9AHSD11B1TSHRGLA
SCHEMBL2615355 0.84 MPL (0.50) CYP1A2ALOX5APFEN1HSD11B1MPL
SCHEMBL2615844 0.83 HSD11B1 (0.43) CYP1A2HSD11B1
SCHEMBL15081823 0.81 KCNH2 (0.41) KCNH2CYP1A2TRPV3ALOX5APFEN1
SCHEMBL16254008 0.80 KCNH2 (0.50) KCNH2CYP1A2TRPV3ALOX5APFEN1
SCHEMBL25400896 0.80 TP53 (0.48) CYP1A2ALOX5APFEN1SCN9ATP53
SCHEMBL15354821 0.80 HDAC1 (0.34) KCNH2CYP1A2TRPV3CYP2C9HSD11B1
SCHEMBL31399815 0.80 TP53 (0.48) CYP1A2ALOX5APFEN1SCN9ATP53
SCHEMBL13265493 0.80 CYP1A2 (0.39) KCNH2CYP1A2ALOX5APFEN1HSD11B1
SCHEMBL4049824 0.80 CRHR1 (0.40)

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815858-B2 Heterocyclic flaviviridae virus inhibitors GILEAD SCIENCES, INC. (US) 2014-08-26 US disclosed
US-8569488-B2 Crystalline pyridazine compound GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569488-B2 Crystalline pyridazine compound GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569487-B2 Pyridazine compound and use thereof GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569487-B2 Pyridazine compound and use thereof GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-20130171102-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 US disclosed
US-20120108601-A1 CRYSTALLINE PYRIDAZINE COMPOUND GILEAD SCIENCES, INC. (US) 2012-05-03 US disclosed
US-20120108601-A1 CRYSTALLINE PYRIDAZINE COMPOUND GILEAD SCIENCES, INC. (US) 2012-05-03 US disclosed
US-8106054-B2 Crystalline pyridazine compound GILEAD SCIENCES, INC. (US) 2012-01-31 US disclosed
US-8106054-B2 Crystalline pyridazine compound GILEAD SCIENCES, INC. (US) 2012-01-31 US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 WO disclosed
EP-2038275-B1 NOVEL PYRIDAZINE COMPOUND AND USE THEREOF GILEAD SCIENCES INC (US) 2010-01-06 EP disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US disclosed
US-20090036460-A1 Crystalline pyridazine compound GILEAD SCIENCES, INC. (US) 2009-02-05 US disclosed
US-20090036460-A1 Crystalline pyridazine compound GILEAD SCIENCES, INC. (US) 2009-02-05 US disclosed
WO-2009009001-A1 CRYSTALLINE PYRIDAZINE COMPOUND GILEAD SCIENCES, INC. (US) 2009-01-15 WO disclosed
US-20080199427-A1 Novel pyridazine compound and use thereof K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2008-08-21 US disclosed
US-20080199427-A1 Novel pyridazine compound and use thereof K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2008-08-21 US disclosed
WO-2008005519-A2 NOVEL PYRIDAZINE COMPOUND AND USE THEREOF GILEAD SCIENCES, INC. (US) 2008-01-10 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 (5 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-20130171102-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS EIF2AK2, MAVS, ZC3HAV1 KCNH2 1890/4885CYP1A2 61/4885TRPV3 3926/4885
US-20120108601-A1 CRYSTALLINE PYRIDAZINE COMPOUND CYP2F1, HAVCR2, NOD1 KCNH2 1752/4885CYP1A2 39/4885TRPV3 3652/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 KCNH2 2124/4885CYP1A2 1975/4885TRPV3 1071/4885
US-20080199427-A1 Novel pyridazine compound and use thereof CYP2F1, HAVCR2, CYP4F2 KCNH2 978/4885CYP1A2 18/4885TRPV3 3157/4885
US-20090036460-A1 Crystalline pyridazine compound CYP2F1, HAVCR2, NOD1 KCNH2 1752/4885CYP1A2 39/4885TRPV3 3652/4885

“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.