SCHEMBL162007

SCHEMBL162007

Cn1cc(Br)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.58
HPGD P15428 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
BRD9 Q9H8M2 1/20 0.50
JAK2 O60674 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL25911767 0.89 BTK (0.47) BTKHPGD
SCHEMBL1432203 0.85 BTK (0.46) BTKHPGDLRRK2
SCHEMBL173564 0.83 IGF1R (0.48)
SCHEMBL20189465 0.83 MEN1 (0.47) BTKJAK2
SCHEMBL1432103 0.80 GSK3B (0.45)
SCHEMBL15886525 0.80 RAB9A (0.43) BTKRXFP1
SCHEMBL1432525 0.79 JAK2 (0.46) BTKJAK2
SCHEMBL18979715 0.79 HPGD (0.53) BTKHPGDRXFP1JAK2LRRK2
SCHEMBL174854 0.78 BTK (0.74) BTK
SCHEMBL1067225 0.78 AURKA (0.49) BTKHPGDRXFP1JAK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
WO-2014125410-A1 N-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 WO disclosed
WO-2014108820-A1 SUBSTITUTED 2-PYRAZINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-17 WO disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
EP-2611790-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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 (1 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-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 BTK 1/4885HPGD 723/4885RXFP1 3336/4885

“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.