SCHEMBL51064

SCHEMBL51064

CN1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 1.00
CSNK1D P48730 1/20 1.00
PARP1 P09874 18/20 0.82
ROCK1 Q13464 1/20 0.48

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
SCHEMBL29496129 1.00 PIM1 (1.00) PIM1CSNK1DPARP1ROCK1
SCHEMBL61589 0.92 PIM1 (0.85) PIM1CSNK1DPARP1
SCHEMBL51663 0.92 PIM1 (0.85) PIM1CSNK1DPARP1
SCHEMBL1319786 0.91 PIM1 (0.84) PIM1CSNK1DPARP1
SCHEMBL14336521 0.91 PARP1 (0.83) PIM1CSNK1DPARP1ROCK1
SCHEMBL61587 0.91 PARP1 (0.83) PIM1CSNK1DPARP1
SCHEMBL10035767 0.91 PIM1 (0.82) PIM1CSNK1DPARP1
SCHEMBL51776 0.90 PIM1 (0.82) PIM1CSNK1DPARP1
SCHEMBL61766 0.90 PARP1 (0.82) PIM1CSNK1DPARP1
SCHEMBL22674578 0.90 PARP1 (0.82) PIM1CSNK1DPARP1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200360538-A1 METHODS OF CANCER DETECTION USING PARPI-FL MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-11-19 US disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
US-20190046665-A1 METHODS OF CANCER DETECTION USING PARPI-FL MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-02-14 US disclosed
US-20190046665-A1 METHODS OF CANCER DETECTION USING PARPI-FL MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-02-14 US disclosed
WO-2015100257-A1 METHODS AND ASSAYS FOR DETERMINING REDUCED BRCA1 PATHWAY FUNCTION IN A CANCER CELL THE GENERAL HOSPITAL CORPORATION (US) 2015-07-02 WO disclosed
US-9062043-B2 Fused tricyclic compounds as serine-threonine protein kinase and PARP modulators SENHWA BIOSCIENCES, INC. (TW) 2015-06-23 US disclosed
EP-2061765-B1 Serine-threonine protein kinase and PARP modulators SENHWA BIOSCIENCES INC (TW) 2014-10-22 EP disclosed
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-05-09 US disclosed
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-05-09 US disclosed
WO-2008028168-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2008-03-06 WO disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 US disclosed
WO-2008016707-A2 USE OF IL-6 IN THE DIAGNOSIS AND TREATMENT OF NEUROINFLAMMATORY CONDITIONS THE JOHNS HOPKINS UNIVERSITY (US) 2008-02-07 WO disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 US disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 US disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 US disclosed
EP-1633362-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, Inc. (US) 2006-03-15 EP disclosed
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. 2005-01-27 US disclosed
WO-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 WO disclosed
WO-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 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 (6 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-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 PIM1 1226/4885CSNK1D 2063/4885PARP1 1/4885
US-20190046665-A1 METHODS OF CANCER DETECTION USING PARPI-FL PARP2, PARP1, PARP3 PIM1 1871/4885CSNK1D 2049/4885PARP1 2/4885
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL PIM1 3448/4885CSNK1D 787/4885PARP1 1298/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 PIM1 1069/4885CSNK1D 2130/4885PARP1 1/4885
US-20200360538-A1 METHODS OF CANCER DETECTION USING PARPI-FL PARP2, PARP1, PARP3 PIM1 1871/4885CSNK1D 2049/4885PARP1 2/4885
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF PARP1, PARP2, PARP6 PIM1 2769/4885CSNK1D 4041/4885PARP1 1/4885

“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.