SCHEMBL3391335

SCHEMBL3391335

Cl[Ru](Cl)(=Cc1ccccc1)[PH](C1CCCCC1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 2/20 0.34
HSP90AA1 P07900 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4376478 0.86 POLB (0.35) POLBGAAIDO1HSP90AA1MAPK1
SCHEMBL4446548 0.76 CYP19A1 (0.35) POLBKDM4EHPGD
Carbon Monoxide SCHEMBL9452220 0.73 HSP90AA1 (0.38) POLBHSP90AA1MAPK1SMN1; SMN2KDM4E
SCHEMBL31273832 0.69 IDO1 (0.41) GAAIDO1KDM4E
SCHEMBL37706 0.66 POLB (0.35) POLBGAAIDO1HSP90AA1MAPK1
SCHEMBL15072746 0.66 POLB (0.35) POLBGAAIDO1HSP90AA1MAPK1
SCHEMBL67450 0.65 IDO1 (0.34) POLBGAAIDO1SMN1; SMN2KDM4E
SCHEMBL6130827 0.64 GAA (0.37) POLBGAAIDO1HSP90AA1MAPK1
SCHEMBL3276201 0.64 HSP90AA1 (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL12474127 0.64 POLB (0.41) POLBGAAHSP90AA1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858964-A Flow cell 因美纳有限公司 2024-04-09 CN disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
CN-116490507-A Heterocyclic condensation CDC7 kinase inhibitors for the treatment of cancer 薛定谔公司 2023-07-25 CN disclosed
EP-4211140-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER Schrödinger, Inc. (US) 2023-07-19 EP disclosed
WO-2022055963-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. (US) 2022-03-17 WO disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
EP-3004123-B1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-28 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
EP-2961737-B1 NOVEL CARBOXAMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-26 EP disclosed
EP-1803761-B1 Ring-opened copolymer, hydrogenated ring-opened copolymer, process for producing thereof, and compositions ZEON CORP (JP) 2016-04-27 EP disclosed
EP-2961737-A1 NOVEL CARBOXAMIDE COMPOUNDS Syngenta Participations AG (CH) 2016-01-06 EP disclosed
WO-2015009656-A1 SULFONATED POLYETHYLENE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2015-01-22 WO disclosed
WO-2014131572-A1 NOVEL CARBOXAMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-04 WO disclosed
EP-2590791-A2 LABELED CONTAINERS AND PROCESSES FOR PRODUCING LABELED CONTAINERS Nestec S.A. (CH) 2013-05-15 EP disclosed
WO-2012005761-A2 LABELED CONTAINERS AND PROCESSES FOR PRODUCING LABELED CONTAINERS NESTEC S.A. (CH) 2012-01-12 WO disclosed
EP-1915345-B1 FLUORO SUBSTITUTED 2-OXO AZEPAN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7084222-B2 Ruthenium complexes, process for preparation thereof, and processes for producing open-ring polymer of cycloolefins and hydrogenation products thereof by using the complex as catalyst ZEON CORPORATION (JP) 2006-08-01 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 WO disclosed
EP-1197509-A1 PROCESS FOR PRODUCING HYDROGENATED RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN Nippon Zeon Co., Ltd. (JP) 2002-04-17 EP 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-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 POLB 1983/4885GAA 2784/4885IDO1 4546/4885

“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.