SCHEMBL1705040

SCHEMBL1705040

Fc1ccc2cncc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
CHUK O15111 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 1/20 0.36
IKBKB O14920 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ROCK1 Q13464 1/20 0.36
METAP2 P50579 1/20 0.36
BCHE P06276 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 0.36

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
SCHEMBL17437066 0.78 EGFR (0.46) ACHECTDSP1CYP3A4KDM4EALDH1A1
SCHEMBL30702097 0.76 BACE1 (0.41) ACHECHUKCTDSP1TDP1CYP3A4
SCHEMBL15047853 0.76 LMNA (0.47) ACHETDP1BCHEGRIN1GRIN2A
SCHEMBL27192375 0.76 BACE1 (0.41) ACHECHUKCTDSP1TDP1CYP3A4
SCHEMBL17981146 0.76 TDP1 (0.37) ACHECHUKCTDSP1TDP1CYP11B1
SCHEMBL2231162 0.76 NT5E (0.42) ACHECHUKCYP11B1CYP11B2METAP2
SCHEMBL30188824 0.76 TDP1 (0.37) ACHECHUKCTDSP1TDP1CYP11B1
SCHEMBL31441318 0.76 CA3 (0.40) ACHECHUKCTDSP1TDP1CYP11B1
Hydrochloric Acid SCHEMBL30702092 0.74 ACHE (0.41) ACHECHUKCTDSP1TDP1CYP11B1
Hydrochloric Acid SCHEMBL27192027 0.74 ACHE (0.41) ACHECHUKCTDSP1TDP1CYP11B1

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-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
CN-101213187-A Isoquinoline derivatives as inhibitors of RHO-kinase SANOFI AVENTIS (FR) 2008-07-02 CN disclosed
EP-1899322-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 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-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 ACHE 4305/4885CHUK 2954/4885CTDSP1 1318/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 ACHE 4311/4885CHUK 2975/4885CTDSP1 1316/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 ACHE 3663/4885CHUK 955/4885CTDSP1 483/4885

“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.