SCHEMBL10242689

SCHEMBL10242689

CC(=O)c1cc2cc(C)ccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.74
FLT3 P36888 4/20 0.66
PDGFRB P09619 1/20 0.66
PDGFRA P16234 1/20 0.66
RAB9A P51151 3/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NPC1 O15118 2/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 1/20 0.59
HRH4 Q9H3N8 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
AKR1C3 P42330 3/20 0.55
DAO P14920 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
IDO1 P14902 1/20 0.52

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
SCHEMBL21983690 0.85 FLT3 (0.60) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL704614 0.85 PIN1 (1.00) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL11960184 0.84 PIN1 (0.72) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL3535493 0.84 PIN1 (0.72) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL13754516 0.81 PIN1 (0.64) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL15223730 0.81 HRH4 (0.62) PIN1FLT3PDGFRBPDGFRAKDM4E
SCHEMBL2732420 0.81 FLT3 (0.73) FLT3PDGFRBPDGFRAHRH4
SCHEMBL25139729 0.81 RAB9A (0.68) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL14845702 0.81 PIN1 (0.68) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL14845694 0.81 PIN1 (0.68) PIN1FLT3PDGFRBPDGFRARAB9A

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-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
WO-2019077631-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-04-25 WO disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8008340-B2 3-arylthioindole-2-carboxamide derivatives and analogs thereof as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2011-08-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2009-05-21 US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 WO disclosed
US-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US 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 (7 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-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK1D PIN1 272/4885FLT3 3771/4885PDGFRB 4417/4885
US-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT PIN1 1060/4885FLT3 4071/4885PDGFRB 4804/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PIN1 377/4885FLT3 3766/4885PDGFRB 592/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PIN1 356/4885FLT3 3798/4885PDGFRB 596/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 PIN1 356/4885FLT3 3798/4885PDGFRB 596/4885
US-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 PIN1 2430/4885FLT3 705/4885PDGFRB 1765/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 PIN1 1045/4885FLT3 1930/4885PDGFRB 1518/4885

“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.