SCHEMBL12499558

SCHEMBL12499558

CC(C)(C)[Si](C)(C)OCc1oc(=O)c2ccccc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.36
C1R P00736 1/20 0.36
BACE1 P56817 1/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
PBRM1 Q86U86 3/20 0.33
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CTSG P08311 1/20 0.32
CTSA P10619 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL15357880 0.84 ELANE (0.37) ELANEC1RCA12CA1CA9
SCHEMBL12498615 0.82 MAOB (0.48) CA12CA1CA9L3MBTL1
SCHEMBL15360228 0.79 CA12 (0.40) CA12CA1CA9HSD17B10ALDH1A1
SCHEMBL16783427 0.77 ELANE (0.35) ELANEC1RPBRM1HSD17B10ALDH1A1
SCHEMBL15346581 0.74 TP53 (0.40) BACE1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL15346816 0.74 C1R (0.36) ELANEC1RBACE1LMNAMAPT
SCHEMBL15346675 0.74 DUT (0.35) BACE1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL12498752 0.73 DUT (0.37) BACE1ALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL16825630 0.72 ELANE (0.37) ELANEBACE1PBRM1MAPTKDM4E
SCHEMBL16825632 0.71 ELANE (0.36) ELANEBACE1PBRM1ALDH1A1MAPT

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-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
EP-3189051-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed
WO-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 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 (2 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-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 ELANE 1371/4885C1R 4067/4885BACE1 2231/4885
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER TP53, KRAS, AQP1 ELANE 1766/4885C1R 4059/4885BACE1 4533/4885

“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.