SCHEMBL10157249

SCHEMBL10157249

COC(=N)C(O)c1c(C)nc2cccc(F)c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MMP13 P45452 1/20 0.32
▸ TACR3 P29371 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ GPR139 Q6DWJ6 1/20 0.30

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
SCHEMBL12877427 0.86 PARP1 (0.38) KCNH2PARP1MMP13TACR3CHRM4
SCHEMBL10157254 0.79 PARP1 (0.39) KCNH2PARP1PDE2APDE10A
SCHEMBL12877424 0.76 PARP1 (0.37) KCNH2PARP1PDE2APDE10A
SCHEMBL15132905 0.75 PARP1 (0.39) KCNH2PARP1MMP13TACR3PDE10A
SCHEMBL10157250 0.73 PARP1 (0.37) KCNH2PARP1MMP13TACR3MEN1
SCHEMBL10157246 0.68 PARP1 (0.41) KCNH2PARP1PDE2APDE10A
SCHEMBL537851 0.68 PARP1 (0.46) KCNH2PARP1PDE2APDE10A
SCHEMBL10157247 0.68 SMN1; SMN2 (0.49) MEN1KMT2A
SCHEMBL2123259 0.67 PARP1 (0.40) KCNH2PARP1
SCHEMBL15132902 0.66 PSIP1 (0.36) PARP1MMP13MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 — — US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 — — US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 — — EP disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 — — 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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KCNH2 3118/4885PARP1 364/4885MMP13 4723/4885
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KCNH2 3118/4885PARP1 364/4885MMP13 4723/4885

“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.

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